REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3k38_1_H DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 78 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.185 177.300 -0.191 0.000 1.155 78 P CA 0.000 63.038 63.100 -0.104 0.000 0.800 78 P CB 0.000 31.651 31.700 -0.082 0.000 0.726 79 E N 0.101 120.201 120.200 -0.166 0.000 2.320 79 E HA 0.578 4.928 4.350 -0.000 0.000 0.264 79 E C -0.978 175.526 176.600 -0.159 0.000 0.923 79 E CA -0.515 55.741 56.400 -0.239 0.000 0.796 79 E CB 0.867 30.514 29.700 -0.087 0.000 1.262 79 E HN 0.415 nan 8.360 nan 0.000 0.428 80 W N 1.439 122.732 121.300 -0.012 0.000 2.231 80 W HA 0.126 4.786 4.660 -0.000 0.000 0.341 80 W C 0.576 177.001 176.519 -0.157 0.000 1.298 80 W CA -0.377 56.894 57.345 -0.124 0.000 1.266 80 W CB 0.324 29.649 29.460 -0.225 0.000 1.172 80 W HN 0.338 nan 8.180 nan 0.000 0.568 81 T N 0.058 114.634 114.554 0.036 0.000 2.922 81 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 81 T C -1.081 173.406 174.700 -0.354 0.000 1.005 81 T CA -0.647 61.433 62.100 -0.033 0.000 1.061 81 T CB 1.027 69.909 68.868 0.024 0.000 1.007 81 T HN 0.315 nan 8.240 nan 0.000 0.502 82 Y N 0.464 120.725 120.300 -0.065 0.000 2.545 82 Y HA 0.514 5.064 4.550 -0.000 0.000 0.348 82 Y C -2.268 173.485 175.900 -0.246 0.000 1.002 82 Y CA -2.693 55.289 58.100 -0.198 0.000 1.039 82 Y CB 1.889 40.266 38.460 -0.138 0.000 1.271 82 Y HN 0.532 nan 8.280 nan 0.000 0.467 83 P HA 0.218 nan 4.420 nan 0.000 0.268 83 P C -1.036 176.219 177.300 -0.075 0.000 1.205 83 P CA -0.072 62.898 63.100 -0.216 0.000 0.771 83 P CB 1.141 32.602 31.700 -0.397 0.000 0.858 84 R N 1.260 121.745 120.500 -0.025 0.000 2.939 84 R HA 0.567 4.907 4.340 -0.000 0.000 0.254 84 R C -0.340 175.962 176.300 0.003 0.000 1.123 84 R CA -1.290 54.804 56.100 -0.009 0.000 1.020 84 R CB 0.119 30.420 30.300 0.002 0.000 1.206 84 R HN 0.213 nan 8.270 nan 0.000 0.491 85 L N 1.248 122.474 121.223 0.005 0.000 2.525 85 L HA 0.037 4.377 4.340 -0.000 0.000 0.278 85 L C 0.003 176.888 176.870 0.025 0.000 1.218 85 L CA 0.916 55.768 54.840 0.020 0.000 0.878 85 L CB 0.412 42.481 42.059 0.016 0.000 1.127 85 L HN 0.597 nan 8.230 nan 0.000 0.492 86 S N 1.365 117.090 115.700 0.042 0.000 2.579 86 S HA 0.145 4.615 4.470 -0.000 0.000 0.275 86 S C 0.140 174.752 174.600 0.020 0.000 1.345 86 S CA -0.968 57.252 58.200 0.033 0.000 1.031 86 S CB 0.388 63.626 63.200 0.062 0.000 0.892 86 S HN 0.684 nan 8.310 nan 0.000 0.529 87 c N 3.291 121.886 118.600 -0.008 0.000 2.727 87 c HA 0.245 4.815 4.570 -0.000 0.000 0.401 87 c C -1.672 172.417 174.090 -0.002 0.000 1.294 87 c CA -0.992 55.328 56.329 -0.015 0.000 2.134 87 c CB -1.117 41.368 42.510 -0.041 0.000 2.724 87 c HN 0.613 nan 8.230 nan 0.000 0.677 88 P HA 0.476 nan 4.420 nan 0.000 0.269 88 P C -0.007 177.299 177.300 0.010 0.000 1.215 88 P CA 0.853 63.963 63.100 0.016 0.000 0.780 88 P CB 0.330 32.036 31.700 0.009 0.000 0.898 89 G N -0.481 108.345 108.800 0.043 0.000 2.352 89 G HA2 0.355 4.315 3.960 -0.000 0.000 0.305 89 G HA3 0.355 4.315 3.960 -0.000 0.000 0.305 89 G C -0.398 174.587 174.900 0.142 0.000 1.537 89 G CA -0.018 45.110 45.100 0.047 0.000 0.959 89 G HN 0.532 nan 8.290 nan 0.000 0.668 90 S N -1.762 114.045 115.700 0.179 0.000 2.911 90 S HA 0.591 5.061 4.470 -0.000 0.000 0.261 90 S C 0.247 175.102 174.600 0.426 0.000 1.021 90 S CA 0.805 59.204 58.200 0.331 0.000 1.222 90 S CB 1.011 64.339 63.200 0.214 0.000 1.171 90 S HN 1.527 nan 8.310 nan 0.000 0.669 91 T N 1.105 115.823 114.554 0.273 0.000 2.923 91 T HA 0.679 5.028 4.350 -0.000 0.000 0.311 91 T C -1.752 173.030 174.700 0.137 0.000 1.183 91 T CA -0.395 61.873 62.100 0.281 0.000 1.020 91 T CB 0.793 69.791 68.868 0.217 0.000 1.165 91 T HN 0.097 nan 8.240 nan 0.000 0.482 92 F N 2.792 122.624 119.950 -0.197 0.000 2.370 92 F HA 0.648 5.175 4.527 -0.000 0.000 0.324 92 F C 0.859 176.676 175.800 0.028 0.000 1.116 92 F CA -0.375 57.517 58.000 -0.179 0.000 1.123 92 F CB 1.216 40.088 39.000 -0.213 0.000 1.238 92 F HN 0.359 nan 8.300 nan 0.000 0.536 93 Q N 0.616 120.518 119.800 0.171 0.000 2.456 93 Q HA 0.210 4.550 4.340 -0.000 0.000 0.284 93 Q C -0.979 174.970 176.000 -0.086 0.000 1.061 93 Q CA -1.166 54.714 55.803 0.128 0.000 0.799 93 Q CB 2.447 31.197 28.738 0.020 0.000 1.445 93 Q HN 0.514 nan 8.270 nan 0.000 0.411 94 K N 0.687 120.896 120.400 -0.319 0.000 2.430 94 K HA 0.171 4.491 4.320 -0.000 0.000 0.280 94 K C 0.191 176.554 176.600 -0.394 0.000 1.063 94 K CA 0.514 56.293 56.287 -0.847 0.000 1.071 94 K CB 0.340 32.597 32.500 -0.404 0.000 0.899 94 K HN 0.707 nan 8.250 nan 0.000 0.473 95 A N 4.871 127.462 122.820 -0.382 0.000 1.944 95 A HA 0.190 4.510 4.320 -0.000 0.000 0.209 95 A C -0.206 177.320 177.584 -0.097 0.000 1.328 95 A CA 0.234 52.170 52.037 -0.168 0.000 0.693 95 A CB 0.247 19.179 19.000 -0.114 0.000 0.994 95 A HN 0.577 nan 8.150 nan 0.000 0.485 96 L N -1.018 120.156 121.223 -0.081 0.000 2.513 96 L HA 0.669 5.009 4.340 -0.000 0.000 0.261 96 L C -1.799 175.070 176.870 -0.002 0.000 0.945 96 L CA -0.563 54.264 54.840 -0.021 0.000 0.848 96 L CB 2.067 44.129 42.059 0.004 0.000 1.334 96 L HN 0.271 nan 8.230 nan 0.000 0.407 97 L N 5.451 126.684 121.223 0.017 0.000 2.313 97 L HA 0.670 5.010 4.340 -0.000 0.000 0.283 97 L C -1.250 175.653 176.870 0.054 0.000 1.013 97 L CA -0.186 54.680 54.840 0.043 0.000 0.816 97 L CB 1.289 43.374 42.059 0.043 0.000 1.236 97 L HN 0.459 nan 8.230 nan 0.000 0.419 98 I N 4.456 125.065 120.570 0.064 0.000 2.337 98 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 98 I C 0.113 176.312 176.117 0.135 0.000 1.041 98 I CA -0.012 61.347 61.300 0.098 0.000 1.199 98 I CB 0.768 38.828 38.000 0.099 0.000 1.370 98 I HN 0.664 nan 8.210 nan 0.000 0.470 99 S N 8.587 124.357 115.700 0.117 0.000 2.269 99 S HA 0.437 4.907 4.470 -0.000 0.000 0.194 99 S C -1.626 172.999 174.600 0.042 0.000 1.547 99 S CA -1.265 57.001 58.200 0.110 0.000 1.186 99 S CB 0.694 63.936 63.200 0.070 0.000 1.069 99 S HN 0.275 nan 8.310 nan 0.000 0.473 100 P HA -0.064 nan 4.420 nan 0.000 0.218 100 P C 0.902 178.063 177.300 -0.231 0.000 1.149 100 P CA 0.986 64.044 63.100 -0.069 0.000 0.817 100 P CB 0.005 31.548 31.700 -0.262 0.000 0.785 101 H N -1.169 117.845 119.070 -0.094 0.000 2.556 101 H HA 0.162 4.718 4.556 -0.000 0.000 0.268 101 H C 1.737 176.873 175.328 -0.320 0.000 0.996 101 H CA 0.448 56.333 56.048 -0.272 0.000 1.157 101 H CB 0.003 29.508 29.762 -0.427 0.000 1.355 101 H HN 0.030 nan 8.280 nan 0.000 0.597 102 R N 0.442 120.724 120.500 -0.362 0.000 2.249 102 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 102 R C 0.510 176.356 176.300 -0.757 0.000 1.121 102 R CA 0.675 56.403 56.100 -0.620 0.000 0.997 102 R CB -0.262 29.496 30.300 -0.903 0.000 0.867 102 R HN 0.308 nan 8.270 nan 0.000 0.465 103 F N -2.196 117.705 119.950 -0.083 0.000 2.688 103 F HA 0.322 4.849 4.527 -0.000 0.000 0.310 103 F C 1.761 177.497 175.800 -0.107 0.000 1.098 103 F CA -0.299 57.650 58.000 -0.086 0.000 1.228 103 F CB 0.197 39.144 39.000 -0.088 0.000 1.042 103 F HN -0.122 nan 8.300 nan 0.000 0.557 104 G N 0.053 108.824 108.800 -0.049 0.000 3.262 104 G HA2 0.096 4.056 3.960 -0.000 0.000 0.228 104 G HA3 0.096 4.056 3.960 -0.000 0.000 0.228 104 G C 0.159 175.010 174.900 -0.081 0.000 1.197 104 G CA -0.217 44.821 45.100 -0.103 0.000 0.819 104 G HN 0.195 nan 8.290 nan 0.000 0.531 105 E N -0.323 119.862 120.200 -0.025 0.000 2.418 105 E HA 0.240 4.590 4.350 -0.000 0.000 0.261 105 E C 1.345 177.955 176.600 0.017 0.000 1.070 105 E CA 0.112 56.514 56.400 0.003 0.000 0.931 105 E CB 0.598 30.307 29.700 0.015 0.000 0.954 105 E HN -0.015 nan 8.360 nan 0.000 0.439 106 T N 1.908 116.482 114.554 0.033 0.000 2.833 106 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 106 T C 1.147 175.862 174.700 0.025 0.000 1.054 106 T CA 0.930 63.051 62.100 0.034 0.000 1.135 106 T CB 0.029 68.925 68.868 0.045 0.000 0.869 106 T HN 0.272 nan 8.240 nan 0.000 0.466 107 K N 1.143 121.558 120.400 0.026 0.000 2.486 107 K HA 0.147 4.467 4.320 -0.000 0.000 0.194 107 K C 1.374 177.989 176.600 0.024 0.000 1.033 107 K CA 0.038 56.339 56.287 0.023 0.000 1.004 107 K CB -0.259 32.254 32.500 0.023 0.000 0.798 107 K HN 0.388 nan 8.250 nan 0.000 0.495 108 G N 1.025 109.842 108.800 0.028 0.000 2.535 108 G HA2 0.086 4.046 3.960 -0.000 0.000 0.282 108 G HA3 0.086 4.046 3.960 -0.000 0.000 0.282 108 G C 0.168 175.081 174.900 0.022 0.000 1.350 108 G CA -0.433 44.689 45.100 0.036 0.000 1.039 108 G HN 0.122 nan 8.290 nan 0.000 0.509 109 N N -0.631 118.080 118.700 0.018 0.000 2.466 109 N HA 0.223 4.963 4.740 -0.000 0.000 0.272 109 N C -0.532 174.970 175.510 -0.015 0.000 1.455 109 N CA -0.172 52.877 53.050 -0.002 0.000 0.875 109 N CB 1.236 39.717 38.487 -0.010 0.000 1.372 109 N HN 0.250 nan 8.380 nan 0.000 0.492 110 S N -0.102 115.596 115.700 -0.004 0.000 2.715 110 S HA 0.794 5.264 4.470 -0.000 0.000 0.307 110 S C -0.146 174.442 174.600 -0.020 0.000 1.119 110 S CA -0.646 57.540 58.200 -0.024 0.000 0.937 110 S CB 2.305 65.501 63.200 -0.008 0.000 1.150 110 S HN 0.198 nan 8.310 nan 0.000 0.521 111 A N 2.423 125.221 122.820 -0.038 0.000 3.317 111 A HA 0.503 4.823 4.320 -0.000 0.000 0.307 111 A C -2.909 174.638 177.584 -0.062 0.000 1.003 111 A CA -1.406 50.612 52.037 -0.033 0.000 0.882 111 A CB -0.038 18.953 19.000 -0.015 0.000 1.136 111 A HN 0.444 nan 8.150 nan 0.000 0.488 112 P HA 0.097 nan 4.420 nan 0.000 0.267 112 P C -0.040 177.175 177.300 -0.141 0.000 1.205 112 P CA 0.441 63.416 63.100 -0.209 0.000 0.765 112 P CB 0.745 32.163 31.700 -0.470 0.000 0.828 113 L N 4.167 125.321 121.223 -0.115 0.000 2.453 113 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 113 L C 1.151 178.074 176.870 0.089 0.000 1.182 113 L CA -0.406 54.422 54.840 -0.020 0.000 0.858 113 L CB 0.019 42.024 42.059 -0.090 0.000 1.120 113 L HN 0.288 nan 8.230 nan 0.000 0.474 114 I N 4.901 125.588 120.570 0.196 0.000 2.421 114 I HA 0.069 4.239 4.170 -0.000 0.000 0.291 114 I C 0.191 176.456 176.117 0.248 0.000 1.089 114 I CA 0.218 61.691 61.300 0.288 0.000 1.354 114 I CB 0.226 38.417 38.000 0.319 0.000 1.413 114 I HN 0.424 nan 8.210 nan 0.000 0.513 115 I N 4.979 125.683 120.570 0.223 0.000 3.206 115 I HA 0.776 4.946 4.170 -0.000 0.000 0.313 115 I C -0.383 175.801 176.117 0.111 0.000 1.103 115 I CA -0.736 60.637 61.300 0.122 0.000 0.985 115 I CB 1.895 39.907 38.000 0.020 0.000 1.240 115 I HN 0.411 nan 8.210 nan 0.000 0.464 116 R N 0.077 120.617 120.500 0.067 0.000 2.741 116 R HA 0.342 4.682 4.340 -0.000 0.000 0.274 116 R C -1.247 175.099 176.300 0.077 0.000 1.029 116 R CA -0.926 55.198 56.100 0.040 0.000 0.880 116 R CB 1.571 31.899 30.300 0.046 0.000 1.264 116 R HN 0.798 nan 8.270 nan 0.000 0.465 117 E N 0.355 120.608 120.200 0.088 0.000 2.210 117 E HA -0.159 4.191 4.350 -0.000 0.000 0.201 117 E C -2.469 174.285 176.600 0.256 0.000 1.339 117 E CA 0.501 57.039 56.400 0.229 0.000 0.699 117 E CB -1.044 28.826 29.700 0.282 0.000 1.126 117 E HN 0.248 nan 8.360 nan 0.000 0.355 118 P HA 0.335 nan 4.420 nan 0.000 0.274 118 P C -0.244 177.016 177.300 -0.067 0.000 1.237 118 P CA -0.162 63.002 63.100 0.106 0.000 0.793 118 P CB 0.545 32.388 31.700 0.239 0.000 0.977 119 F N -1.253 118.459 119.950 -0.398 0.000 2.779 119 F HA 0.721 5.248 4.527 -0.000 0.000 0.316 119 F C -1.680 173.911 175.800 -0.348 0.000 1.164 119 F CA -1.288 56.069 58.000 -1.072 0.000 0.924 119 F CB 0.872 39.459 39.000 -0.688 0.000 1.348 119 F HN 0.052 nan 8.300 nan 0.000 0.467 120 I N 1.534 121.981 120.570 -0.206 0.000 2.647 120 I HA 0.818 4.988 4.170 -0.000 0.000 0.295 120 I C -0.914 175.315 176.117 0.187 0.000 1.078 120 I CA -1.144 60.074 61.300 -0.137 0.000 1.048 120 I CB 2.142 39.702 38.000 -0.734 0.000 1.239 120 I HN 1.013 nan 8.210 nan 0.000 0.421 121 A N 4.169 127.213 122.820 0.373 0.000 2.520 121 A HA 0.799 5.119 4.320 -0.000 0.000 0.298 121 A C -1.505 176.455 177.584 0.627 0.000 1.051 121 A CA -0.411 51.968 52.037 0.570 0.000 0.690 121 A CB 1.552 21.000 19.000 0.746 0.000 1.281 121 A HN 0.730 nan 8.150 nan 0.000 0.402 122 c N 1.121 120.010 118.600 0.480 0.000 2.563 122 c HA 0.894 5.464 4.570 -0.000 0.000 0.314 122 c C 1.058 175.209 174.090 0.102 0.000 1.199 122 c CA -0.073 56.466 56.329 0.350 0.000 1.564 122 c CB 1.259 43.952 42.510 0.306 0.000 2.173 122 c HN 1.214 nan 8.230 nan 0.000 0.485 123 G N 1.985 110.745 108.800 -0.066 0.000 2.753 123 G HA2 0.600 4.560 3.960 -0.000 0.000 0.285 123 G HA3 0.600 4.560 3.960 -0.000 0.000 0.285 123 G C -1.678 173.087 174.900 -0.225 0.000 1.344 123 G CA -0.669 44.147 45.100 -0.472 0.000 1.050 123 G HN 0.448 nan 8.290 nan 0.000 0.532 124 P HA -0.019 nan 4.420 nan 0.000 0.226 124 P C 0.729 177.989 177.300 -0.065 0.000 1.153 124 P CA 1.255 64.293 63.100 -0.102 0.000 0.777 124 P CB 0.201 31.855 31.700 -0.076 0.000 0.794 125 K N -2.091 118.261 120.400 -0.080 0.000 2.491 125 K HA 0.298 4.618 4.320 -0.000 0.000 0.211 125 K C 0.616 177.229 176.600 0.022 0.000 1.210 125 K CA -0.325 55.952 56.287 -0.018 0.000 1.003 125 K CB 0.979 33.472 32.500 -0.012 0.000 1.009 125 K HN -0.071 nan 8.250 nan 0.000 0.577 126 E N 0.532 120.762 120.200 0.050 0.000 2.372 126 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 126 E C -1.570 175.144 176.600 0.191 0.000 0.946 126 E CA -0.960 55.508 56.400 0.113 0.000 0.769 126 E CB 2.247 32.034 29.700 0.145 0.000 1.230 126 E HN 0.225 nan 8.360 nan 0.000 0.442 127 c N 3.152 121.849 118.600 0.162 0.000 2.329 127 c HA 0.509 5.079 4.570 -0.000 0.000 0.329 127 c C -0.214 173.922 174.090 0.075 0.000 1.275 127 c CA -0.661 55.786 56.329 0.196 0.000 1.726 127 c CB 0.442 43.045 42.510 0.155 0.000 2.291 127 c HN 0.522 nan 8.230 nan 0.000 0.514 128 K N 1.592 122.018 120.400 0.044 0.000 2.182 128 K HA 0.293 4.613 4.320 -0.000 0.000 0.262 128 K C -0.381 175.972 176.600 -0.412 0.000 0.957 128 K CA -0.295 55.772 56.287 -0.367 0.000 0.842 128 K CB 1.045 33.003 32.500 -0.903 0.000 1.099 128 K HN 0.818 nan 8.250 nan 0.000 0.438 129 H N 4.264 122.988 119.070 -0.575 0.000 2.690 129 H HA 0.198 4.754 4.556 -0.000 0.000 0.289 129 H C -1.036 173.891 175.328 -0.667 0.000 1.089 129 H CA -0.709 55.057 56.048 -0.471 0.000 1.299 129 H CB 0.234 29.827 29.762 -0.280 0.000 1.405 129 H HN 0.344 nan 8.280 nan 0.000 0.463 130 F N 3.104 122.719 119.950 -0.559 0.000 2.399 130 F HA 0.596 5.123 4.527 -0.000 0.000 0.328 130 F C 0.398 175.789 175.800 -0.680 0.000 1.084 130 F CA -0.139 57.401 58.000 -0.767 0.000 1.053 130 F CB 1.749 39.923 39.000 -1.376 0.000 1.209 130 F HN 0.609 nan 8.300 nan 0.000 0.502 131 A N 1.701 124.362 122.820 -0.265 0.000 2.581 131 A HA 0.778 5.098 4.320 -0.000 0.000 0.290 131 A C -1.928 175.631 177.584 -0.042 0.000 1.119 131 A CA -0.809 51.147 52.037 -0.136 0.000 0.670 131 A CB 1.190 20.070 19.000 -0.200 0.000 1.280 131 A HN 0.661 nan 8.150 nan 0.000 0.425 132 L N 1.309 122.542 121.223 0.017 0.000 2.265 132 L HA 0.559 4.899 4.340 -0.000 0.000 0.289 132 L C 0.373 177.220 176.870 -0.039 0.000 1.033 132 L CA -0.344 54.508 54.840 0.019 0.000 0.814 132 L CB 1.618 43.722 42.059 0.076 0.000 1.203 132 L HN 0.787 nan 8.230 nan 0.000 0.423 133 T N 0.275 114.795 114.554 -0.056 0.000 2.929 133 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 133 T C 0.699 175.416 174.700 0.028 0.000 1.014 133 T CA -0.415 61.669 62.100 -0.026 0.000 1.051 133 T CB 0.762 69.562 68.868 -0.113 0.000 1.028 133 T HN 0.525 nan 8.240 nan 0.000 0.485 134 H N 2.963 122.156 119.070 0.205 0.000 2.536 134 H HA 0.075 4.631 4.556 -0.000 0.000 0.276 134 H C -0.230 175.302 175.328 0.341 0.000 1.019 134 H CA 0.118 56.324 56.048 0.263 0.000 1.159 134 H CB -0.234 29.671 29.762 0.239 0.000 1.373 134 H HN 0.770 nan 8.280 nan 0.000 0.584 135 Y N -0.034 120.424 120.300 0.264 0.000 3.389 135 Y HA -0.234 4.316 4.550 -0.000 0.000 0.213 135 Y C -0.248 175.747 175.900 0.159 0.000 1.272 135 Y CA 0.244 58.479 58.100 0.226 0.000 1.444 135 Y CB -1.449 37.104 38.460 0.155 0.000 1.445 135 Y HN 0.393 nan 8.280 nan 0.000 0.583 136 A N -0.068 122.959 122.820 0.345 0.000 2.549 136 A HA 0.987 5.307 4.320 -0.000 0.000 0.297 136 A C -0.865 176.877 177.584 0.264 0.000 1.061 136 A CA -0.189 52.042 52.037 0.325 0.000 0.690 136 A CB 1.235 20.465 19.000 0.382 0.000 1.287 136 A HN 1.210 nan 8.150 nan 0.000 0.402 137 A N 0.551 123.513 122.820 0.237 0.000 2.354 137 A HA 0.793 5.113 4.320 -0.000 0.000 0.321 137 A C -0.450 177.244 177.584 0.184 0.000 1.125 137 A CA -0.573 51.560 52.037 0.160 0.000 0.799 137 A CB 1.333 20.391 19.000 0.097 0.000 1.293 137 A HN 0.871 nan 8.150 nan 0.000 0.452 138 Q N 1.473 121.310 119.800 0.062 0.000 2.293 138 Q HA 0.447 4.787 4.340 -0.000 0.000 0.261 138 Q C -2.546 173.427 176.000 -0.045 0.000 0.960 138 Q CA -2.201 53.579 55.803 -0.039 0.000 0.882 138 Q CB 1.828 30.291 28.738 -0.457 0.000 1.275 138 Q HN 0.540 nan 8.270 nan 0.000 0.445 139 P HA 0.318 nan 4.420 nan 0.000 0.274 139 P C -0.619 176.727 177.300 0.076 0.000 1.231 139 P CA 0.090 63.251 63.100 0.102 0.000 0.790 139 P CB 1.341 33.080 31.700 0.064 0.000 0.951 140 G N -0.396 108.402 108.800 -0.004 0.000 2.550 140 G HA2 0.482 4.442 3.960 -0.000 0.000 0.293 140 G HA3 0.482 4.442 3.960 -0.000 0.000 0.293 140 G C -0.089 174.478 174.900 -0.556 0.000 1.402 140 G CA -0.222 44.783 45.100 -0.159 0.000 0.784 140 G HN 0.449 nan 8.290 nan 0.000 0.482 141 G N -1.491 106.994 108.800 -0.526 0.000 3.277 141 G HA2 0.342 4.301 3.960 -0.000 0.000 0.243 141 G HA3 0.342 4.301 3.960 -0.000 0.000 0.243 141 G C -0.149 174.314 174.900 -0.728 0.000 1.107 141 G CA 0.124 44.811 45.100 -0.688 0.000 0.771 141 G HN 0.359 nan 8.290 nan 0.000 0.544 142 Y N 0.416 120.598 120.300 -0.196 0.000 2.781 142 Y HA 0.348 4.898 4.550 -0.000 0.000 0.326 142 Y C 0.981 176.955 175.900 0.123 0.000 1.019 142 Y CA -1.426 56.663 58.100 -0.018 0.000 1.372 142 Y CB 0.020 38.514 38.460 0.057 0.000 1.260 142 Y HN 0.114 nan 8.280 nan 0.000 0.546 143 Y N -0.891 119.502 120.300 0.154 0.000 2.373 143 Y HA -0.119 4.431 4.550 -0.000 0.000 0.293 143 Y C 1.203 177.158 175.900 0.091 0.000 1.129 143 Y CA -0.254 57.938 58.100 0.153 0.000 1.226 143 Y CB -0.562 38.002 38.460 0.174 0.000 1.000 143 Y HN 0.205 nan 8.280 nan 0.000 0.549 144 N N 0.449 119.279 118.700 0.216 0.000 2.440 144 N HA 0.251 4.991 4.740 -0.000 0.000 0.265 144 N C 1.038 176.598 175.510 0.083 0.000 1.239 144 N CA 1.372 54.493 53.050 0.119 0.000 0.909 144 N CB 0.337 38.877 38.487 0.089 0.000 1.066 144 N HN 0.503 nan 8.380 nan 0.000 0.474 145 G N 1.739 110.551 108.800 0.021 0.000 2.176 145 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.232 145 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.232 145 G C 0.882 175.669 174.900 -0.189 0.000 0.986 145 G CA 0.658 45.742 45.100 -0.027 0.000 0.643 145 G HN 0.742 nan 8.290 nan 0.000 0.522 146 T N -1.976 112.440 114.554 -0.230 0.000 3.085 146 T HA 0.206 4.556 4.350 -0.000 0.000 0.263 146 T C 1.986 176.527 174.700 -0.265 0.000 1.127 146 T CA 1.158 62.927 62.100 -0.553 0.000 1.103 146 T CB -0.055 68.728 68.868 -0.142 0.000 0.921 146 T HN 0.400 nan 8.240 nan 0.000 0.510 147 R N 1.073 121.454 120.500 -0.198 0.000 2.119 147 R HA 0.171 4.511 4.340 -0.000 0.000 0.222 147 R C 1.623 177.862 176.300 -0.102 0.000 1.088 147 R CA 0.586 56.489 56.100 -0.328 0.000 0.984 147 R CB -0.500 29.570 30.300 -0.385 0.000 0.884 147 R HN 0.524 nan 8.270 nan 0.000 0.447 148 G N 0.128 108.910 108.800 -0.030 0.000 2.634 148 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.255 148 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.255 148 G C -0.115 174.919 174.900 0.224 0.000 1.205 148 G CA -0.385 44.754 45.100 0.064 0.000 0.884 148 G HN 0.053 nan 8.290 nan 0.000 0.549 149 D N -0.576 119.912 120.400 0.146 0.000 2.394 149 D HA 0.053 4.692 4.640 -0.000 0.000 0.226 149 D C 0.908 177.257 176.300 0.081 0.000 0.990 149 D CA 0.524 54.618 54.000 0.156 0.000 0.902 149 D CB 0.463 41.324 40.800 0.100 0.000 1.038 149 D HN 0.245 nan 8.370 nan 0.000 0.499 150 R N 1.359 121.792 120.500 -0.112 0.000 2.265 150 R HA 0.410 4.750 4.340 -0.000 0.000 0.328 150 R C -0.558 175.690 176.300 -0.088 0.000 0.969 150 R CA -0.361 55.505 56.100 -0.390 0.000 0.832 150 R CB 1.068 30.827 30.300 -0.902 0.000 1.139 150 R HN 0.165 nan 8.270 nan 0.000 0.457 151 N N -0.107 118.659 118.700 0.111 0.000 3.106 151 N HA 0.133 4.873 4.740 -0.000 0.000 0.253 151 N C -0.569 175.091 175.510 0.249 0.000 1.506 151 N CA -1.048 52.101 53.050 0.164 0.000 0.876 151 N CB 0.927 39.523 38.487 0.181 0.000 1.452 151 N HN 0.113 nan 8.380 nan 0.000 0.542 152 K N -0.405 120.102 120.400 0.180 0.000 2.486 152 K HA 0.271 4.591 4.320 -0.000 0.000 0.194 152 K C 0.581 177.279 176.600 0.164 0.000 1.033 152 K CA 0.607 56.989 56.287 0.159 0.000 1.004 152 K CB -0.259 32.300 32.500 0.099 0.000 0.798 152 K HN 0.419 nan 8.250 nan 0.000 0.495 153 L N -0.199 121.150 121.223 0.210 0.000 2.556 153 L HA 0.136 4.476 4.340 -0.000 0.000 0.226 153 L C 0.759 177.930 176.870 0.502 0.000 1.089 153 L CA -0.348 54.661 54.840 0.281 0.000 0.864 153 L CB 0.225 42.394 42.059 0.183 0.000 1.067 153 L HN -0.050 nan 8.230 nan 0.000 0.477 154 R N 0.289 120.996 120.500 0.346 0.000 2.570 154 R HA 0.124 4.464 4.340 -0.000 0.000 0.277 154 R C -1.030 175.417 176.300 0.245 0.000 1.039 154 R CA 0.600 56.863 56.100 0.271 0.000 1.065 154 R CB 0.043 30.465 30.300 0.203 0.000 0.964 154 R HN 0.052 nan 8.270 nan 0.000 0.428 155 H N 1.805 120.968 119.070 0.155 0.000 2.894 155 H HA 0.308 4.864 4.556 -0.000 0.000 0.367 155 H C -1.259 174.082 175.328 0.022 0.000 1.144 155 H CA -0.839 55.294 56.048 0.140 0.000 1.180 155 H CB 1.355 31.281 29.762 0.274 0.000 1.758 155 H HN 0.393 nan 8.280 nan 0.000 0.541 156 L N 4.357 125.661 121.223 0.134 0.000 2.410 156 L HA 0.325 4.665 4.340 -0.000 0.000 0.273 156 L C -0.744 176.159 176.870 0.056 0.000 1.144 156 L CA 0.050 54.958 54.840 0.113 0.000 0.863 156 L CB -0.578 41.573 42.059 0.154 0.000 1.140 156 L HN 0.594 nan 8.230 nan 0.000 0.463 157 I N 2.045 122.571 120.570 -0.073 0.000 3.002 157 I HA 0.949 5.119 4.170 -0.000 0.000 0.310 157 I C -0.500 175.486 176.117 -0.219 0.000 1.087 157 I CA -0.410 60.714 61.300 -0.295 0.000 1.017 157 I CB 2.283 39.856 38.000 -0.711 0.000 1.226 157 I HN 0.613 nan 8.210 nan 0.000 0.443 158 S N 2.256 117.727 115.700 -0.380 0.000 2.556 158 S HA 0.906 5.376 4.470 -0.000 0.000 0.271 158 S C -0.729 173.577 174.600 -0.489 0.000 1.135 158 S CA -0.358 57.494 58.200 -0.580 0.000 0.858 158 S CB 1.435 64.067 63.200 -0.947 0.000 1.114 158 S HN 1.618 nan 8.310 nan 0.000 0.468 159 V N -0.957 118.679 119.914 -0.464 0.000 3.074 159 V HA 0.689 4.809 4.120 -0.000 0.000 0.314 159 V C -0.139 175.781 176.094 -0.290 0.000 1.117 159 V CA -1.331 60.780 62.300 -0.314 0.000 1.014 159 V CB 1.495 33.187 31.823 -0.219 0.000 1.057 159 V HN 1.209 nan 8.190 nan 0.000 0.438 160 K N 1.816 122.096 120.400 -0.200 0.000 2.447 160 K HA 0.194 4.514 4.320 -0.000 0.000 0.281 160 K C -0.262 176.285 176.600 -0.089 0.000 1.031 160 K CA -0.497 55.708 56.287 -0.138 0.000 1.019 160 K CB 0.549 32.998 32.500 -0.086 0.000 0.918 160 K HN 0.752 nan 8.250 nan 0.000 0.476 161 L N 5.218 126.401 121.223 -0.068 0.000 2.667 161 L HA -0.016 4.324 4.340 -0.000 0.000 0.278 161 L C 1.060 177.917 176.870 -0.023 0.000 1.217 161 L CA 2.302 57.117 54.840 -0.041 0.000 0.935 161 L CB 0.077 42.110 42.059 -0.043 0.000 1.193 161 L HN 1.024 nan 8.230 nan 0.000 0.493 162 G N 2.840 111.631 108.800 -0.014 0.000 2.380 162 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.197 162 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.197 162 G C 0.194 175.091 174.900 -0.006 0.000 1.001 162 G CA -0.347 44.750 45.100 -0.006 0.000 0.668 162 G HN 0.501 nan 8.290 nan 0.000 0.483 163 K N 1.179 121.568 120.400 -0.019 0.000 2.144 163 K HA 0.551 4.871 4.320 -0.000 0.000 0.270 163 K C 0.443 177.031 176.600 -0.021 0.000 1.005 163 K CA -0.685 55.578 56.287 -0.039 0.000 0.932 163 K CB 1.315 33.772 32.500 -0.071 0.000 1.021 163 K HN 0.179 nan 8.250 nan 0.000 0.462 164 I N 4.655 125.201 120.570 -0.040 0.000 2.416 164 I HA 0.080 4.250 4.170 -0.000 0.000 0.288 164 I C -1.869 174.200 176.117 -0.081 0.000 1.051 164 I CA -2.701 58.583 61.300 -0.026 0.000 1.375 164 I CB 0.454 38.436 38.000 -0.030 0.000 1.407 164 I HN 0.145 nan 8.210 nan 0.000 0.516 165 P HA 0.071 nan 4.420 nan 0.000 0.256 165 P C 0.028 177.231 177.300 -0.162 0.000 1.688 165 P CA -0.056 62.938 63.100 -0.176 0.000 1.162 165 P CB -0.526 31.025 31.700 -0.247 0.000 1.870 166 T N -1.926 112.545 114.554 -0.137 0.000 2.923 166 T HA 0.247 4.596 4.350 -0.000 0.000 0.281 166 T C 1.462 176.109 174.700 -0.088 0.000 0.995 166 T CA -0.736 61.298 62.100 -0.110 0.000 0.985 166 T CB 0.483 69.290 68.868 -0.100 0.000 1.114 166 T HN -0.082 nan 8.240 nan 0.000 0.548 167 V N 1.267 121.156 119.914 -0.041 0.000 2.250 167 V HA -0.238 3.882 4.120 -0.000 0.000 0.253 167 V C 2.778 178.878 176.094 0.009 0.000 1.065 167 V CA 2.447 64.755 62.300 0.014 0.000 1.039 167 V CB -0.928 30.907 31.823 0.019 0.000 0.647 167 V HN 0.950 nan 8.190 nan 0.000 0.446 168 E N -0.596 119.586 120.200 -0.030 0.000 2.112 168 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 168 E C 2.086 178.648 176.600 -0.062 0.000 0.979 168 E CA 0.903 57.279 56.400 -0.040 0.000 0.814 168 E CB -0.206 29.465 29.700 -0.048 0.000 0.762 168 E HN 0.536 nan 8.360 nan 0.000 0.460 169 N N 0.728 119.376 118.700 -0.086 0.000 2.244 169 N HA -0.036 4.704 4.740 -0.000 0.000 0.183 169 N C 0.464 175.889 175.510 -0.141 0.000 1.016 169 N CA 0.453 53.437 53.050 -0.110 0.000 0.866 169 N CB -0.033 38.383 38.487 -0.119 0.000 0.980 169 N HN -0.095 nan 8.380 nan 0.000 0.430 170 S N 0.331 115.935 115.700 -0.159 0.000 2.584 170 S HA 0.232 4.702 4.470 -0.000 0.000 0.270 170 S C 0.296 174.770 174.600 -0.210 0.000 1.346 170 S CA -0.365 57.683 58.200 -0.252 0.000 1.018 170 S CB 1.109 64.087 63.200 -0.371 0.000 0.899 170 S HN 0.183 nan 8.310 nan 0.000 0.542 171 I N 1.653 122.022 120.570 -0.335 0.000 2.465 171 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 171 I C -1.515 174.312 176.117 -0.483 0.000 1.014 171 I CA -0.958 60.150 61.300 -0.320 0.000 1.093 171 I CB 0.817 38.582 38.000 -0.392 0.000 1.267 171 I HN 0.475 nan 8.210 nan 0.000 0.431 172 F N 6.710 126.409 119.950 -0.418 0.000 2.404 172 F HA 0.331 4.858 4.527 -0.000 0.000 0.358 172 F C 1.282 176.917 175.800 -0.276 0.000 1.120 172 F CA -0.289 57.524 58.000 -0.312 0.000 1.144 172 F CB 0.664 39.503 39.000 -0.268 0.000 1.133 172 F HN 0.552 nan 8.300 nan 0.000 0.495 173 H N 3.662 122.749 119.070 0.029 0.000 2.370 173 H HA 0.213 4.769 4.556 -0.000 0.000 0.304 173 H C 0.435 175.838 175.328 0.126 0.000 1.055 173 H CA 1.219 57.221 56.048 -0.075 0.000 1.373 173 H CB 0.561 30.148 29.762 -0.292 0.000 1.423 173 H HN 0.573 nan 8.280 nan 0.000 0.533 174 M N -1.405 118.404 119.600 0.347 0.000 2.694 174 M HA 0.576 5.056 4.480 -0.000 0.000 0.276 174 M C -1.690 174.651 176.300 0.069 0.000 1.167 174 M CA -0.942 54.539 55.300 0.301 0.000 0.849 174 M CB 2.221 35.015 32.600 0.323 0.000 1.705 174 M HN -0.080 nan 8.290 nan 0.000 0.504 175 A N 1.801 124.477 122.820 -0.240 0.000 2.488 175 A HA 0.769 5.089 4.320 -0.000 0.000 0.249 175 A C -0.003 177.394 177.584 -0.312 0.000 1.083 175 A CA 0.373 52.012 52.037 -0.664 0.000 0.768 175 A CB -0.388 18.318 19.000 -0.489 0.000 1.017 175 A HN 1.880 nan 8.150 nan 0.000 0.496 176 A N 2.761 125.423 122.820 -0.263 0.000 2.547 176 A HA 0.524 4.844 4.320 -0.000 0.000 0.300 176 A C -0.204 177.324 177.584 -0.094 0.000 1.061 176 A CA -0.283 51.606 52.037 -0.246 0.000 0.808 176 A CB 0.255 19.187 19.000 -0.113 0.000 1.304 176 A HN 1.527 nan 8.150 nan 0.000 0.393 177 W N 1.547 122.854 121.300 0.011 0.000 3.132 177 W HA 0.539 5.199 4.660 -0.000 0.000 0.364 177 W C -0.012 176.535 176.519 0.048 0.000 1.129 177 W CA 0.253 57.612 57.345 0.024 0.000 1.815 177 W CB 0.186 29.665 29.460 0.030 0.000 1.099 177 W HN 0.758 nan 8.180 nan 0.000 0.605 178 S N 0.393 116.181 115.700 0.147 0.000 2.536 178 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 178 S C -0.603 174.008 174.600 0.019 0.000 1.134 178 S CA -0.157 58.141 58.200 0.163 0.000 0.897 178 S CB 1.603 64.931 63.200 0.213 0.000 1.094 178 S HN 0.277 nan 8.310 nan 0.000 0.473 179 G N 0.993 109.823 108.800 0.050 0.000 2.660 179 G HA2 0.762 4.722 3.960 -0.000 0.000 0.294 179 G HA3 0.762 4.722 3.960 -0.000 0.000 0.294 179 G C -1.192 173.636 174.900 -0.121 0.000 1.369 179 G CA -0.354 44.767 45.100 0.034 0.000 0.912 179 G HN 1.016 nan 8.290 nan 0.000 0.479 180 S N -1.337 114.286 115.700 -0.128 0.000 2.615 180 S HA 0.910 5.380 4.470 -0.000 0.000 0.268 180 S C -1.204 173.308 174.600 -0.146 0.000 1.146 180 S CA 0.433 58.406 58.200 -0.379 0.000 0.818 180 S CB 1.339 64.334 63.200 -0.341 0.000 1.111 180 S HN 2.457 nan 8.310 nan 0.000 0.465 181 A N 0.489 123.215 122.820 -0.156 0.000 2.597 181 A HA 0.845 5.165 4.320 -0.000 0.000 0.292 181 A C -0.795 176.828 177.584 0.065 0.000 1.057 181 A CA -0.157 51.802 52.037 -0.130 0.000 0.674 181 A CB 0.453 19.077 19.000 -0.626 0.000 1.278 181 A HN 2.288 nan 8.150 nan 0.000 0.416 182 c N -0.730 117.951 118.600 0.134 0.000 3.312 182 c HA 0.847 5.417 4.570 -0.000 0.000 0.332 182 c C -0.840 173.241 174.090 -0.016 0.000 1.340 182 c CA -0.779 55.641 56.329 0.153 0.000 1.265 182 c CB 0.601 43.160 42.510 0.082 0.000 1.563 182 c HN 1.353 nan 8.230 nan 0.000 0.471 183 H N 0.431 119.313 119.070 -0.312 0.000 2.489 183 H HA 0.574 5.130 4.556 -0.000 0.000 0.343 183 H C 0.292 175.465 175.328 -0.259 0.000 1.086 183 H CA 0.119 55.801 56.048 -0.610 0.000 1.198 183 H CB 1.496 30.575 29.762 -1.138 0.000 1.490 183 H HN 0.839 nan 8.280 nan 0.000 0.504 184 D N 2.318 122.485 120.400 -0.388 0.000 2.369 184 D HA 0.171 4.811 4.640 -0.000 0.000 0.211 184 D C 1.501 177.855 176.300 0.091 0.000 1.077 184 D CA 0.554 54.514 54.000 -0.067 0.000 0.842 184 D CB 0.542 41.357 40.800 0.024 0.000 0.947 184 D HN 0.827 nan 8.370 nan 0.000 0.509 185 G N 0.431 109.277 108.800 0.076 0.000 2.284 185 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 185 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 185 G C 1.171 176.112 174.900 0.067 0.000 1.009 185 G CA 0.242 45.434 45.100 0.153 0.000 0.625 185 G HN 0.397 nan 8.290 nan 0.000 0.501 186 K N -0.363 119.977 120.400 -0.101 0.000 2.403 186 K HA 0.438 4.758 4.320 -0.000 0.000 0.199 186 K C 0.478 176.931 176.600 -0.245 0.000 1.199 186 K CA 0.795 57.002 56.287 -0.134 0.000 0.924 186 K CB 0.957 33.349 32.500 -0.179 0.000 1.137 186 K HN 0.266 nan 8.250 nan 0.000 0.510 187 E N -0.739 119.109 120.200 -0.588 0.000 2.407 187 E HA 0.202 4.552 4.350 -0.000 0.000 0.279 187 E C -1.976 174.094 176.600 -0.884 0.000 1.012 187 E CA -0.686 55.324 56.400 -0.651 0.000 0.800 187 E CB 0.638 29.870 29.700 -0.780 0.000 1.276 187 E HN 0.001 nan 8.360 nan 0.000 0.452 188 W N 1.490 122.485 121.300 -0.508 0.000 2.287 188 W HA 0.439 5.098 4.660 -0.000 0.000 0.313 188 W C -0.028 176.131 176.519 -0.600 0.000 1.267 188 W CA -0.151 56.894 57.345 -0.501 0.000 1.201 188 W CB 1.645 30.780 29.460 -0.543 0.000 1.196 188 W HN 0.186 nan 8.180 nan 0.000 0.536 189 T N 4.028 118.471 114.554 -0.185 0.000 2.758 189 T HA 0.333 4.683 4.350 -0.000 0.000 0.285 189 T C -1.103 173.432 174.700 -0.276 0.000 0.981 189 T CA -0.435 61.623 62.100 -0.069 0.000 0.965 189 T CB 0.184 69.084 68.868 0.054 0.000 0.927 189 T HN 0.044 nan 8.240 nan 0.000 0.448 190 Y N 2.359 122.694 120.300 0.057 0.000 2.360 190 Y HA 0.661 5.211 4.550 -0.000 0.000 0.337 190 Y C 0.089 175.966 175.900 -0.038 0.000 1.039 190 Y CA -1.319 56.744 58.100 -0.061 0.000 1.109 190 Y CB 0.957 39.328 38.460 -0.148 0.000 1.201 190 Y HN 0.467 nan 8.280 nan 0.000 0.458 191 I N 2.354 122.970 120.570 0.077 0.000 2.418 191 I HA 0.641 4.811 4.170 -0.000 0.000 0.287 191 I C 0.011 176.131 176.117 0.004 0.000 1.008 191 I CA -0.282 61.031 61.300 0.021 0.000 1.104 191 I CB 1.964 39.938 38.000 -0.042 0.000 1.264 191 I HN 0.798 nan 8.210 nan 0.000 0.438 192 G N 5.577 114.370 108.800 -0.011 0.000 2.666 192 G HA2 0.620 4.580 3.960 -0.000 0.000 0.303 192 G HA3 0.620 4.580 3.960 -0.000 0.000 0.303 192 G C -1.274 173.512 174.900 -0.191 0.000 1.412 192 G CA -0.450 44.605 45.100 -0.075 0.000 0.979 192 G HN 0.290 nan 8.290 nan 0.000 0.507 193 V N 3.597 123.308 119.914 -0.338 0.000 2.394 193 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 193 V C -0.371 175.031 176.094 -1.152 0.000 1.031 193 V CA -0.591 61.350 62.300 -0.597 0.000 0.881 193 V CB 1.089 32.558 31.823 -0.590 0.000 0.982 193 V HN 0.944 nan 8.190 nan 0.000 0.451 194 D N 2.955 122.800 120.400 -0.926 0.000 2.781 194 D HA 0.785 5.425 4.640 -0.000 0.000 0.295 194 D C 0.119 176.259 176.300 -0.266 0.000 1.143 194 D CA 0.074 53.478 54.000 -0.993 0.000 1.076 194 D CB 1.786 42.294 40.800 -0.486 0.000 1.444 194 D HN 1.108 nan 8.370 nan 0.000 0.567 195 G N -0.636 108.271 108.800 0.179 0.000 2.566 195 G HA2 0.064 4.023 3.960 -0.000 0.000 0.599 195 G HA3 0.064 4.023 3.960 -0.000 0.000 0.599 195 G C -2.885 172.251 174.900 0.394 0.000 1.292 195 G CA -0.467 44.779 45.100 0.244 0.000 0.922 195 G HN 0.681 nan 8.290 nan 0.000 0.514 196 P HA 0.283 nan 4.420 nan 0.000 0.274 196 P C 0.798 178.195 177.300 0.162 0.000 1.231 196 P CA -0.064 63.134 63.100 0.163 0.000 0.790 196 P CB 0.917 32.677 31.700 0.100 0.000 0.951 197 E N 1.248 121.486 120.200 0.063 0.000 2.097 197 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 197 E C 1.344 177.974 176.600 0.049 0.000 1.000 197 E CA 2.041 58.449 56.400 0.013 0.000 0.804 197 E CB -0.268 29.409 29.700 -0.037 0.000 0.740 197 E HN 0.663 nan 8.360 nan 0.000 0.454 198 N N -0.840 117.889 118.700 0.048 0.000 2.336 198 N HA -0.051 4.689 4.740 -0.000 0.000 0.189 198 N C 0.560 176.101 175.510 0.051 0.000 1.113 198 N CA 0.199 53.271 53.050 0.037 0.000 0.858 198 N CB 0.443 38.944 38.487 0.025 0.000 0.970 198 N HN -0.112 nan 8.380 nan 0.000 0.471 199 N N 0.216 118.965 118.700 0.082 0.000 2.609 199 N HA 0.209 4.949 4.740 -0.000 0.000 0.251 199 N C -1.288 174.296 175.510 0.123 0.000 1.526 199 N CA -0.228 52.877 53.050 0.092 0.000 0.931 199 N CB 0.546 39.079 38.487 0.077 0.000 1.460 199 N HN 0.365 nan 8.380 nan 0.000 0.526 200 A N 0.372 123.287 122.820 0.159 0.000 2.429 200 A HA 0.495 4.815 4.320 -0.000 0.000 0.242 200 A C -0.297 177.320 177.584 0.054 0.000 1.088 200 A CA 0.063 52.208 52.037 0.179 0.000 0.784 200 A CB 0.342 19.555 19.000 0.356 0.000 1.038 200 A HN 0.430 nan 8.150 nan 0.000 0.501 201 L N 1.039 122.232 121.223 -0.051 0.000 2.406 201 L HA 0.566 4.906 4.340 -0.000 0.000 0.272 201 L C -0.797 175.977 176.870 -0.160 0.000 0.980 201 L CA -0.316 54.454 54.840 -0.117 0.000 0.831 201 L CB 1.641 43.625 42.059 -0.124 0.000 1.253 201 L HN 0.718 nan 8.230 nan 0.000 0.406 202 L N 5.197 126.362 121.223 -0.096 0.000 2.276 202 L HA 0.499 4.839 4.340 -0.000 0.000 0.286 202 L C -0.784 176.052 176.870 -0.056 0.000 1.061 202 L CA -0.193 54.600 54.840 -0.079 0.000 0.807 202 L CB 0.384 42.440 42.059 -0.006 0.000 1.177 202 L HN 0.626 nan 8.230 nan 0.000 0.429 203 K N 6.688 127.059 120.400 -0.050 0.000 2.323 203 K HA 0.524 4.844 4.320 -0.000 0.000 0.259 203 K C -1.135 175.504 176.600 0.066 0.000 0.947 203 K CA -0.522 55.775 56.287 0.016 0.000 0.819 203 K CB 2.144 34.663 32.500 0.032 0.000 1.109 203 K HN 0.533 nan 8.250 nan 0.000 0.429 204 I N 2.427 123.050 120.570 0.089 0.000 2.359 204 I HA 0.305 4.475 4.170 -0.000 0.000 0.294 204 I C -0.176 176.029 176.117 0.145 0.000 0.987 204 I CA -0.672 60.686 61.300 0.096 0.000 1.225 204 I CB 1.284 39.312 38.000 0.045 0.000 1.366 204 I HN 0.392 nan 8.210 nan 0.000 0.466 205 K N 5.294 125.785 120.400 0.152 0.000 2.376 205 K HA 0.369 4.689 4.320 -0.000 0.000 0.257 205 K C -1.767 174.982 176.600 0.249 0.000 0.939 205 K CA -0.673 55.679 56.287 0.109 0.000 0.809 205 K CB 1.512 34.015 32.500 0.004 0.000 1.121 205 K HN 0.448 nan 8.250 nan 0.000 0.425 206 Y N 4.217 124.542 120.300 0.042 0.000 2.402 206 Y HA 0.344 4.893 4.550 -0.000 0.000 0.332 206 Y C 0.641 176.599 175.900 0.097 0.000 0.960 206 Y CA 0.645 58.775 58.100 0.050 0.000 1.228 206 Y CB 0.995 39.467 38.460 0.019 0.000 1.120 206 Y HN 0.984 nan 8.280 nan 0.000 0.491 207 G N 4.790 113.547 108.800 -0.071 0.000 2.620 207 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.315 207 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.315 207 G C 0.865 175.862 174.900 0.161 0.000 1.179 207 G CA 0.768 45.908 45.100 0.066 0.000 0.971 207 G HN 0.505 nan 8.290 nan 0.000 0.544 208 E N 1.524 121.756 120.200 0.054 0.000 2.452 208 E HA 0.458 4.808 4.350 -0.000 0.000 0.197 208 E C 1.353 177.892 176.600 -0.102 0.000 1.022 208 E CA 0.806 57.203 56.400 -0.006 0.000 0.890 208 E CB 0.334 30.048 29.700 0.023 0.000 0.918 208 E HN 0.941 nan 8.360 nan 0.000 0.496 209 A N 1.089 123.879 122.820 -0.050 0.000 2.289 209 A HA 0.409 4.729 4.320 -0.000 0.000 0.298 209 A C -0.882 176.632 177.584 -0.116 0.000 1.208 209 A CA -0.462 51.559 52.037 -0.026 0.000 0.845 209 A CB -0.101 18.951 19.000 0.086 0.000 1.125 209 A HN -0.021 nan 8.150 nan 0.000 0.517 210 Y N 1.940 122.312 120.300 0.120 0.000 2.465 210 Y HA 0.223 4.773 4.550 -0.000 0.000 0.331 210 Y C 1.759 177.714 175.900 0.091 0.000 1.102 210 Y CA 0.933 59.094 58.100 0.102 0.000 1.358 210 Y CB 0.764 39.267 38.460 0.072 0.000 1.213 210 Y HN 0.801 nan 8.280 nan 0.000 0.525 211 T N -2.568 112.094 114.554 0.181 0.000 2.989 211 T HA 0.226 4.576 4.350 -0.000 0.000 0.250 211 T C -0.031 174.721 174.700 0.087 0.000 0.981 211 T CA 0.139 62.309 62.100 0.117 0.000 0.980 211 T CB 0.554 69.472 68.868 0.083 0.000 1.133 211 T HN 0.454 nan 8.240 nan 0.000 0.489 212 D N 0.596 121.050 120.400 0.089 0.000 2.639 212 D HA 0.555 5.195 4.640 -0.000 0.000 0.271 212 D C -1.281 175.052 176.300 0.055 0.000 1.254 212 D CA -0.084 53.952 54.000 0.061 0.000 0.810 212 D CB 2.402 43.223 40.800 0.034 0.000 1.351 212 D HN 0.380 nan 8.370 nan 0.000 0.427 213 T N -2.029 112.545 114.554 0.033 0.000 2.864 213 T HA 0.671 5.021 4.350 -0.000 0.000 0.299 213 T C -1.435 173.282 174.700 0.029 0.000 1.166 213 T CA -0.662 61.428 62.100 -0.016 0.000 1.007 213 T CB 1.620 70.411 68.868 -0.129 0.000 1.219 213 T HN 0.326 nan 8.240 nan 0.000 0.506 214 Y N 0.290 120.493 120.300 -0.162 0.000 2.512 214 Y HA 0.549 5.098 4.550 -0.000 0.000 0.348 214 Y C -0.401 175.379 175.900 -0.200 0.000 0.990 214 Y CA -0.894 57.142 58.100 -0.106 0.000 1.033 214 Y CB 1.821 40.269 38.460 -0.021 0.000 1.259 214 Y HN 0.804 nan 8.280 nan 0.000 0.461 215 H N 1.970 120.843 119.070 -0.328 0.000 2.479 215 H HA 0.206 4.762 4.556 -0.000 0.000 0.335 215 H C -0.293 175.013 175.328 -0.037 0.000 1.142 215 H CA -0.503 55.455 56.048 -0.150 0.000 1.234 215 H CB 2.094 31.756 29.762 -0.166 0.000 1.503 215 H HN 0.615 nan 8.280 nan 0.000 0.510 216 S N 2.062 117.842 115.700 0.134 0.000 2.626 216 S HA -0.109 4.361 4.470 -0.000 0.000 0.303 216 S C 0.655 175.310 174.600 0.092 0.000 1.256 216 S CA 0.069 58.311 58.200 0.070 0.000 1.069 216 S CB -0.204 63.023 63.200 0.047 0.000 0.807 216 S HN 0.644 nan 8.310 nan 0.000 0.500 217 Y N 2.672 123.034 120.300 0.103 0.000 2.445 217 Y HA 0.688 5.238 4.550 -0.000 0.000 0.247 217 Y C 1.031 176.973 175.900 0.069 0.000 1.129 217 Y CA -0.013 58.136 58.100 0.083 0.000 1.251 217 Y CB -0.156 38.386 38.460 0.137 0.000 1.176 217 Y HN 0.607 nan 8.280 nan 0.000 0.522 218 A N 0.254 122.952 122.820 -0.204 0.000 2.635 218 A HA 0.275 4.594 4.320 -0.000 0.000 0.279 218 A C 0.372 177.916 177.584 -0.067 0.000 1.122 218 A CA -0.116 51.873 52.037 -0.080 0.000 0.965 218 A CB -0.712 18.224 19.000 -0.107 0.000 1.221 218 A HN 0.427 nan 8.150 nan 0.000 0.566 219 N N 0.382 119.044 118.700 -0.064 0.000 2.708 219 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 219 N C -0.449 175.050 175.510 -0.018 0.000 1.097 219 N CA 1.131 54.170 53.050 -0.019 0.000 0.710 219 N CB -0.920 37.570 38.487 0.004 0.000 1.032 219 N HN 0.451 nan 8.380 nan 0.000 0.551 220 N N 0.782 119.457 118.700 -0.041 0.000 2.707 220 N HA 0.304 5.044 4.740 -0.000 0.000 0.249 220 N C -0.878 174.622 175.510 -0.016 0.000 1.299 220 N CA -0.465 52.571 53.050 -0.023 0.000 0.769 220 N CB 0.165 38.639 38.487 -0.020 0.000 1.236 220 N HN 0.268 nan 8.380 nan 0.000 0.524 221 I N 0.982 121.566 120.570 0.023 0.000 7.474 221 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 221 I C -0.013 176.180 176.117 0.128 0.000 1.805 221 I CA -0.012 61.339 61.300 0.085 0.000 2.128 221 I CB -0.746 37.247 38.000 -0.012 0.000 3.592 221 I HN 0.367 nan 8.210 nan 0.000 0.196 222 L N 5.360 126.668 121.223 0.140 0.000 2.559 222 L HA 0.279 4.619 4.340 -0.000 0.000 0.282 222 L C 0.622 177.614 176.870 0.202 0.000 1.232 222 L CA 1.216 56.110 54.840 0.090 0.000 0.885 222 L CB 0.280 42.382 42.059 0.071 0.000 1.131 222 L HN 0.439 nan 8.230 nan 0.000 0.498 223 R N 2.274 122.845 120.500 0.119 0.000 2.668 223 R HA 0.562 4.902 4.340 -0.000 0.000 0.272 223 R C -0.816 175.509 176.300 0.042 0.000 1.019 223 R CA -0.449 55.737 56.100 0.144 0.000 0.894 223 R CB 2.050 32.428 30.300 0.130 0.000 1.228 223 R HN 0.775 nan 8.270 nan 0.000 0.460 224 T N -0.713 113.856 114.554 0.025 0.000 2.718 224 T HA 0.188 4.537 4.350 -0.000 0.000 0.267 224 T C 0.527 175.193 174.700 -0.057 0.000 0.957 224 T CA -0.375 61.694 62.100 -0.051 0.000 1.025 224 T CB 1.445 70.260 68.868 -0.089 0.000 1.355 224 T HN 0.571 nan 8.240 nan 0.000 0.572 225 Q N 0.107 119.835 119.800 -0.120 0.000 2.224 225 Q HA -0.030 4.310 4.340 -0.000 0.000 0.203 225 Q C 0.027 175.953 176.000 -0.122 0.000 0.970 225 Q CA 0.920 56.648 55.803 -0.125 0.000 0.865 225 Q CB 0.056 28.699 28.738 -0.159 0.000 0.922 225 Q HN 0.616 nan 8.270 nan 0.000 0.445 226 E N 0.045 120.145 120.200 -0.168 0.000 2.805 226 E HA -0.198 4.152 4.350 -0.000 0.000 0.266 226 E C -0.287 176.058 176.600 -0.425 0.000 1.092 226 E CA 1.241 57.543 56.400 -0.165 0.000 0.781 226 E CB -2.143 27.655 29.700 0.163 0.000 1.379 226 E HN 0.476 nan 8.360 nan 0.000 0.433 227 S N -2.226 113.074 115.700 -0.667 0.000 2.705 227 S HA 0.788 5.258 4.470 -0.000 0.000 0.280 227 S C -0.140 174.025 174.600 -0.726 0.000 1.174 227 S CA -0.592 57.193 58.200 -0.692 0.000 0.823 227 S CB 1.999 65.172 63.200 -0.045 0.000 1.162 227 S HN 0.522 nan 8.310 nan 0.000 0.487 228 A N 0.505 123.195 122.820 -0.217 0.000 2.511 228 A HA 0.479 4.799 4.320 -0.000 0.000 0.242 228 A C 0.974 178.544 177.584 -0.023 0.000 1.069 228 A CA -0.185 51.848 52.037 -0.006 0.000 0.763 228 A CB -1.369 17.786 19.000 0.260 0.000 1.001 228 A HN 1.477 nan 8.150 nan 0.000 0.498 229 c N 1.578 120.165 118.600 -0.022 0.000 2.641 229 c HA 0.561 5.131 4.570 -0.000 0.000 0.318 229 c C 0.257 174.387 174.090 0.068 0.000 1.490 229 c CA -1.280 55.054 56.329 0.008 0.000 2.260 229 c CB -0.084 42.417 42.510 -0.015 0.000 2.103 229 c HN 0.785 nan 8.230 nan 0.000 0.641 230 N N -0.287 118.456 118.700 0.071 0.000 2.519 230 N HA 0.361 5.101 4.740 -0.000 0.000 0.286 230 N C -1.573 174.102 175.510 0.276 0.000 1.079 230 N CA -0.153 52.971 53.050 0.122 0.000 0.878 230 N CB 1.650 39.980 38.487 -0.261 0.000 1.375 230 N HN 0.720 nan 8.380 nan 0.000 0.514 231 c N 2.523 121.316 118.600 0.320 0.000 2.341 231 c HA 0.647 5.217 4.570 -0.000 0.000 0.338 231 c C 0.676 174.870 174.090 0.172 0.000 1.257 231 c CA -0.781 55.663 56.329 0.192 0.000 1.883 231 c CB -0.278 42.242 42.510 0.018 0.000 2.334 231 c HN 0.684 nan 8.230 nan 0.000 0.524 232 I N 1.999 122.603 120.570 0.057 0.000 2.548 232 I HA 0.564 4.733 4.170 -0.000 0.000 0.287 232 I C 0.768 176.651 176.117 -0.391 0.000 1.103 232 I CA 0.507 61.678 61.300 -0.215 0.000 1.049 232 I CB 1.159 39.125 38.000 -0.057 0.000 1.232 232 I HN 0.944 nan 8.210 nan 0.000 0.429 233 G N 4.580 112.880 108.800 -0.832 0.000 2.258 233 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.274 233 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.274 233 G C 1.049 175.320 174.900 -1.048 0.000 1.021 233 G CA 0.571 45.242 45.100 -0.714 0.000 0.798 233 G HN 2.038 nan 8.290 nan 0.000 0.507 234 G N -1.524 106.632 108.800 -1.074 0.000 2.213 234 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.226 234 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.226 234 G C 0.109 174.519 174.900 -0.817 0.000 0.992 234 G CA 0.333 44.478 45.100 -1.590 0.000 0.632 234 G HN 1.053 nan 8.290 nan 0.000 0.511 235 N N 0.913 119.298 118.700 -0.524 0.000 2.420 235 N HA 0.459 5.199 4.740 -0.000 0.000 0.249 235 N C -0.117 175.241 175.510 -0.254 0.000 1.033 235 N CA 0.172 52.990 53.050 -0.387 0.000 0.944 235 N CB 1.018 39.338 38.487 -0.279 0.000 1.113 235 N HN 0.301 nan 8.380 nan 0.000 0.502 236 c N 2.964 121.378 118.600 -0.310 0.000 2.330 236 c HA 0.439 5.009 4.570 -0.000 0.000 0.344 236 c C 0.058 173.986 174.090 -0.271 0.000 1.273 236 c CA -0.778 55.459 56.329 -0.154 0.000 1.879 236 c CB -1.321 41.115 42.510 -0.123 0.000 2.376 236 c HN 0.551 nan 8.230 nan 0.000 0.534 237 Y N 2.484 122.757 120.300 -0.045 0.000 2.409 237 Y HA 0.728 5.278 4.550 -0.000 0.000 0.339 237 Y C -0.052 175.867 175.900 0.031 0.000 1.033 237 Y CA -0.838 57.256 58.100 -0.010 0.000 1.094 237 Y CB 1.309 39.743 38.460 -0.044 0.000 1.210 237 Y HN 0.555 nan 8.280 nan 0.000 0.456 238 L N 4.514 125.852 121.223 0.191 0.000 2.493 238 L HA 0.500 4.840 4.340 -0.000 0.000 0.265 238 L C -1.454 175.321 176.870 -0.158 0.000 0.954 238 L CA -0.788 54.062 54.840 0.016 0.000 0.844 238 L CB 1.985 43.990 42.059 -0.091 0.000 1.302 238 L HN 0.728 nan 8.230 nan 0.000 0.405 239 M N 6.265 125.636 119.600 -0.381 0.000 2.233 239 M HA 0.571 5.051 4.480 -0.000 0.000 0.355 239 M C -1.079 174.948 176.300 -0.455 0.000 1.191 239 M CA -0.524 54.238 55.300 -0.896 0.000 1.101 239 M CB 0.972 33.100 32.600 -0.787 0.000 1.592 239 M HN 0.722 nan 8.290 nan 0.000 0.461 240 I N 0.986 121.311 120.570 -0.408 0.000 2.828 240 I HA 0.771 4.941 4.170 -0.000 0.000 0.302 240 I C -0.926 175.152 176.117 -0.065 0.000 1.101 240 I CA -0.490 60.709 61.300 -0.168 0.000 1.031 240 I CB 2.544 40.478 38.000 -0.110 0.000 1.231 240 I HN 0.636 nan 8.210 nan 0.000 0.427 241 T N 1.520 116.082 114.554 0.013 0.000 2.841 241 T HA 0.514 4.864 4.350 -0.000 0.000 0.296 241 T C -2.060 172.613 174.700 -0.045 0.000 1.166 241 T CA -0.242 61.888 62.100 0.050 0.000 1.007 241 T CB 1.832 70.685 68.868 -0.025 0.000 1.253 241 T HN 0.906 nan 8.240 nan 0.000 0.511 242 D N -0.578 119.727 120.400 -0.159 0.000 2.769 242 D HA 0.616 5.256 4.640 -0.000 0.000 0.219 242 D C -0.419 175.757 176.300 -0.205 0.000 1.245 242 D CA 0.912 54.728 54.000 -0.308 0.000 0.801 242 D CB 1.730 42.011 40.800 -0.865 0.000 1.598 242 D HN 1.111 nan 8.370 nan 0.000 0.485 243 G N 0.682 109.407 108.800 -0.124 0.000 2.347 243 G HA2 0.287 4.247 3.960 -0.000 0.000 0.477 243 G HA3 0.287 4.247 3.960 -0.000 0.000 0.477 243 G C -0.893 173.998 174.900 -0.015 0.000 1.349 243 G CA -0.231 44.832 45.100 -0.061 0.000 1.000 243 G HN 0.519 nan 8.290 nan 0.000 0.605 244 S N -0.218 115.498 115.700 0.027 0.000 2.537 244 S HA 0.465 4.935 4.470 -0.000 0.000 0.286 244 S C 1.858 176.535 174.600 0.128 0.000 1.299 244 S CA 0.949 59.182 58.200 0.055 0.000 1.067 244 S CB 0.790 64.022 63.200 0.054 0.000 0.864 244 S HN 2.110 nan 8.310 nan 0.000 0.494 245 A N 4.376 127.256 122.820 0.100 0.000 2.024 245 A HA -0.015 4.305 4.320 -0.000 0.000 0.220 245 A C 2.083 179.695 177.584 0.046 0.000 1.164 245 A CA 1.883 53.996 52.037 0.127 0.000 0.643 245 A CB -0.449 18.580 19.000 0.049 0.000 0.806 245 A HN 0.769 nan 8.150 nan 0.000 0.451 246 S N -1.807 113.888 115.700 -0.008 0.000 2.539 246 S HA 0.430 4.900 4.470 -0.000 0.000 0.221 246 S C 0.848 175.362 174.600 -0.144 0.000 0.987 246 S CA 0.197 58.327 58.200 -0.117 0.000 0.929 246 S CB 0.573 63.723 63.200 -0.084 0.000 0.832 246 S HN 0.814 nan 8.310 nan 0.000 0.492 247 G N 0.939 109.746 108.800 0.012 0.000 3.195 247 G HA2 0.529 4.489 3.960 -0.000 0.000 0.217 247 G HA3 0.529 4.489 3.960 -0.000 0.000 0.217 247 G C -0.868 174.234 174.900 0.337 0.000 1.166 247 G CA -0.717 44.450 45.100 0.112 0.000 0.812 247 G HN 0.131 nan 8.290 nan 0.000 0.617 248 I N 1.809 122.553 120.570 0.290 0.000 2.587 248 I HA 0.248 4.418 4.170 -0.000 0.000 0.284 248 I C -0.161 176.002 176.117 0.077 0.000 1.134 248 I CA 0.434 61.876 61.300 0.237 0.000 1.410 248 I CB 0.383 38.471 38.000 0.146 0.000 1.392 248 I HN 0.059 nan 8.210 nan 0.000 0.545 249 S N 5.932 121.576 115.700 -0.093 0.000 2.539 249 S HA 0.212 4.682 4.470 -0.000 0.000 0.235 249 S C -0.074 174.452 174.600 -0.122 0.000 1.326 249 S CA -0.713 57.339 58.200 -0.247 0.000 1.183 249 S CB 0.831 63.653 63.200 -0.630 0.000 1.073 249 S HN 0.568 nan 8.310 nan 0.000 0.480 250 E N 2.501 122.728 120.200 0.045 0.000 2.105 250 E HA 0.280 4.630 4.350 -0.000 0.000 0.285 250 E C 0.467 177.183 176.600 0.193 0.000 1.055 250 E CA -0.626 55.843 56.400 0.116 0.000 0.843 250 E CB 0.370 30.159 29.700 0.148 0.000 1.067 250 E HN 0.796 nan 8.360 nan 0.000 0.398 251 C N 3.401 122.771 119.300 0.116 0.000 2.563 251 C HA 0.640 5.100 4.460 -0.000 0.000 0.358 251 C C 0.187 175.228 174.990 0.084 0.000 1.336 251 C CA -0.695 58.378 59.018 0.090 0.000 2.454 251 C CB 0.250 27.975 27.740 -0.025 0.000 2.448 251 C HN 0.835 nan 8.230 nan 0.000 0.670 252 R N -0.399 120.078 120.500 -0.039 0.000 2.799 252 R HA 0.653 4.993 4.340 -0.000 0.000 0.270 252 R C -1.737 174.386 176.300 -0.294 0.000 1.010 252 R CA -0.436 55.611 56.100 -0.088 0.000 0.916 252 R CB 1.609 31.795 30.300 -0.190 0.000 1.228 252 R HN 0.729 nan 8.270 nan 0.000 0.469 253 F N 1.418 121.273 119.950 -0.159 0.000 2.495 253 F HA 0.469 4.996 4.527 -0.000 0.000 0.327 253 F C -0.187 175.470 175.800 -0.237 0.000 1.103 253 F CA -0.697 57.216 58.000 -0.145 0.000 0.949 253 F CB 1.395 40.364 39.000 -0.052 0.000 1.142 253 F HN 0.015 nan 8.300 nan 0.000 0.457 254 L N 3.601 124.760 121.223 -0.107 0.000 2.295 254 L HA 0.451 4.791 4.340 -0.000 0.000 0.285 254 L C -0.237 176.507 176.870 -0.211 0.000 1.035 254 L CA -0.837 53.866 54.840 -0.228 0.000 0.806 254 L CB 1.707 43.568 42.059 -0.331 0.000 1.214 254 L HN 0.523 nan 8.230 nan 0.000 0.426 255 K N 4.481 124.702 120.400 -0.299 0.000 2.281 255 K HA 0.556 4.876 4.320 -0.000 0.000 0.272 255 K C -1.057 175.314 176.600 -0.383 0.000 1.048 255 K CA -0.379 55.597 56.287 -0.518 0.000 0.898 255 K CB 0.683 32.881 32.500 -0.504 0.000 1.128 255 K HN 0.485 nan 8.250 nan 0.000 0.460 256 I N 4.079 124.417 120.570 -0.387 0.000 2.406 256 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 256 I C -0.279 175.638 176.117 -0.332 0.000 0.999 256 I CA -0.812 60.314 61.300 -0.290 0.000 1.124 256 I CB 1.840 39.705 38.000 -0.225 0.000 1.289 256 I HN 0.455 nan 8.210 nan 0.000 0.441 257 R N 5.666 125.973 120.500 -0.320 0.000 2.476 257 R HA 0.330 4.670 4.340 -0.000 0.000 0.305 257 R C -0.537 175.513 176.300 -0.417 0.000 0.965 257 R CA -0.315 55.560 56.100 -0.375 0.000 0.867 257 R CB 0.964 31.062 30.300 -0.336 0.000 1.176 257 R HN 0.712 nan 8.270 nan 0.000 0.447 258 E N 2.801 122.633 120.200 -0.613 0.000 2.360 258 E HA -0.264 4.086 4.350 -0.000 0.000 0.238 258 E C 0.451 176.398 176.600 -1.089 0.000 1.186 258 E CA 0.822 56.527 56.400 -1.158 0.000 0.719 258 E CB -1.109 28.272 29.700 -0.530 0.000 1.236 258 E HN 1.179 nan 8.360 nan 0.000 0.386 259 G N -0.170 108.180 108.800 -0.751 0.000 2.176 259 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.253 259 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.253 259 G C 0.186 174.993 174.900 -0.156 0.000 0.979 259 G CA 0.498 45.427 45.100 -0.285 0.000 0.641 259 G HN 0.290 nan 8.290 nan 0.000 0.530 260 R N -0.505 119.879 120.500 -0.193 0.000 2.621 260 R HA 0.611 4.951 4.340 -0.000 0.000 0.292 260 R C 0.017 176.241 176.300 -0.126 0.000 0.969 260 R CA -1.021 55.012 56.100 -0.112 0.000 0.887 260 R CB 1.563 31.813 30.300 -0.084 0.000 1.180 260 R HN 0.200 nan 8.270 nan 0.000 0.450 261 I N 4.781 125.302 120.570 -0.081 0.000 2.517 261 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 261 I C 1.516 177.582 176.117 -0.085 0.000 1.106 261 I CA 0.433 61.677 61.300 -0.094 0.000 1.402 261 I CB 0.515 38.498 38.000 -0.029 0.000 1.399 261 I HN 0.690 nan 8.210 nan 0.000 0.535 262 I N 2.538 123.031 120.570 -0.129 0.000 4.035 262 I HA 0.380 4.550 4.170 -0.000 0.000 0.321 262 I C 0.550 176.611 176.117 -0.093 0.000 1.289 262 I CA 0.031 61.269 61.300 -0.104 0.000 1.236 262 I CB 0.147 38.070 38.000 -0.128 0.000 1.076 262 I HN 0.419 nan 8.210 nan 0.000 0.418 263 K N 1.452 121.777 120.400 -0.124 0.000 2.551 263 K HA 0.459 4.779 4.320 -0.000 0.000 0.269 263 K C -1.414 175.084 176.600 -0.170 0.000 0.949 263 K CA -0.518 55.698 56.287 -0.118 0.000 0.849 263 K CB 2.550 34.984 32.500 -0.109 0.000 1.411 263 K HN 0.068 nan 8.250 nan 0.000 0.432 264 E N 2.759 122.827 120.200 -0.220 0.000 2.158 264 E HA 0.372 4.722 4.350 -0.000 0.000 0.271 264 E C -0.883 175.347 176.600 -0.617 0.000 0.911 264 E CA -0.569 55.574 56.400 -0.427 0.000 0.767 264 E CB 1.871 31.269 29.700 -0.502 0.000 1.120 264 E HN 0.331 nan 8.360 nan 0.000 0.405 265 I N 3.607 123.873 120.570 -0.506 0.000 2.362 265 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 265 I C -0.947 174.947 176.117 -0.371 0.000 0.994 265 I CA -0.696 60.398 61.300 -0.343 0.000 1.158 265 I CB 0.634 38.602 38.000 -0.054 0.000 1.315 265 I HN 0.390 nan 8.210 nan 0.000 0.451 266 F N 6.986 126.965 119.950 0.049 0.000 2.361 266 F HA 0.455 4.982 4.527 -0.000 0.000 0.364 266 F C -1.958 173.877 175.800 0.058 0.000 1.120 266 F CA -2.605 55.417 58.000 0.036 0.000 1.102 266 F CB 0.056 39.057 39.000 0.002 0.000 1.183 266 F HN 0.228 nan 8.300 nan 0.000 0.476 267 P HA 0.199 nan 4.420 nan 0.000 0.272 267 P C -0.035 177.344 177.300 0.132 0.000 1.223 267 P CA -0.300 62.903 63.100 0.172 0.000 0.784 267 P CB 0.678 32.502 31.700 0.207 0.000 0.923 268 T N -1.671 112.938 114.554 0.092 0.000 2.937 268 T HA 0.710 5.060 4.350 -0.000 0.000 0.283 268 T C 0.572 175.280 174.700 0.013 0.000 1.012 268 T CA 0.042 62.172 62.100 0.050 0.000 0.997 268 T CB 1.306 70.197 68.868 0.038 0.000 1.136 268 T HN 0.755 nan 8.240 nan 0.000 0.551 269 G N 0.852 109.636 108.800 -0.027 0.000 2.503 269 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.235 269 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.235 269 G C -0.330 174.523 174.900 -0.078 0.000 1.179 269 G CA -0.272 44.775 45.100 -0.089 0.000 0.944 269 G HN 0.878 nan 8.290 nan 0.000 0.580 270 R N 1.544 121.979 120.500 -0.108 0.000 2.419 270 R HA 0.391 4.731 4.340 -0.000 0.000 0.305 270 R C 1.323 177.612 176.300 -0.019 0.000 1.242 270 R CA 0.701 56.752 56.100 -0.081 0.000 1.105 270 R CB 0.029 30.261 30.300 -0.113 0.000 1.116 270 R HN 1.243 nan 8.270 nan 0.000 0.523 271 V N 1.432 121.345 119.914 -0.002 0.000 3.528 271 V HA 0.169 4.289 4.120 -0.000 0.000 0.294 271 V C 1.978 178.099 176.094 0.045 0.000 1.404 271 V CA -0.126 62.199 62.300 0.041 0.000 1.065 271 V CB 0.031 31.884 31.823 0.051 0.000 0.904 271 V HN 0.486 nan 8.190 nan 0.000 0.435 272 K N 0.990 121.396 120.400 0.010 0.000 2.052 272 K HA -0.238 4.082 4.320 -0.000 0.000 0.215 272 K C 0.621 177.321 176.600 0.167 0.000 1.053 272 K CA 2.346 58.632 56.287 -0.002 0.000 0.934 272 K CB -0.147 32.241 32.500 -0.186 0.000 0.717 272 K HN 0.780 nan 8.250 nan 0.000 0.450 273 H N -1.189 117.955 119.070 0.123 0.000 3.149 273 H HA 0.234 4.790 4.556 -0.000 0.000 0.334 273 H C -1.846 173.553 175.328 0.118 0.000 1.000 273 H CA -0.577 55.575 56.048 0.173 0.000 1.415 273 H CB 1.732 31.666 29.762 0.287 0.000 1.819 273 H HN -0.065 nan 8.280 nan 0.000 0.486 274 T N 5.026 119.612 114.554 0.053 0.000 2.949 274 T HA 0.320 4.670 4.350 -0.000 0.000 0.300 274 T C -1.019 173.703 174.700 0.037 0.000 0.988 274 T CA -0.914 61.252 62.100 0.110 0.000 0.993 274 T CB 1.338 70.263 68.868 0.094 0.000 0.984 274 T HN 0.748 nan 8.240 nan 0.000 0.442 275 E N 1.246 121.509 120.200 0.105 0.000 2.449 275 E HA 0.522 4.872 4.350 -0.000 0.000 0.278 275 E C -1.088 175.532 176.600 0.033 0.000 0.992 275 E CA -1.169 55.263 56.400 0.053 0.000 0.807 275 E CB 1.125 30.884 29.700 0.099 0.000 1.350 275 E HN 0.458 nan 8.360 nan 0.000 0.462 276 E N -0.198 120.004 120.200 0.003 0.000 2.199 276 E HA -0.218 4.132 4.350 -0.000 0.000 0.208 276 E C -0.734 175.854 176.600 -0.020 0.000 1.310 276 E CA 0.431 56.814 56.400 -0.029 0.000 0.709 276 E CB -1.733 27.917 29.700 -0.084 0.000 1.127 276 E HN 0.435 nan 8.360 nan 0.000 0.354 277 c N 1.053 119.647 118.600 -0.009 0.000 2.634 277 c HA 0.082 4.652 4.570 -0.000 0.000 0.418 277 c C 1.218 175.346 174.090 0.063 0.000 1.373 277 c CA 0.004 56.355 56.329 0.036 0.000 1.756 277 c CB -0.126 42.417 42.510 0.055 0.000 2.589 277 c HN 0.297 nan 8.230 nan 0.000 0.602 278 T N 3.950 118.579 114.554 0.124 0.000 2.753 278 T HA 0.346 4.696 4.350 -0.000 0.000 0.297 278 T C -0.097 174.756 174.700 0.255 0.000 0.981 278 T CA -0.255 61.961 62.100 0.195 0.000 0.956 278 T CB 0.193 69.220 68.868 0.266 0.000 0.936 278 T HN 0.777 nan 8.240 nan 0.000 0.463 279 c N 2.876 121.578 118.600 0.171 0.000 2.454 279 c HA 1.012 5.582 4.570 -0.000 0.000 0.336 279 c C 0.960 175.076 174.090 0.043 0.000 1.189 279 c CA -0.498 55.905 56.329 0.124 0.000 1.877 279 c CB 1.076 43.635 42.510 0.081 0.000 2.348 279 c HN 1.103 nan 8.230 nan 0.000 0.508 280 G N 0.460 109.260 108.800 -0.001 0.000 2.673 280 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 280 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 280 G C -1.586 173.230 174.900 -0.141 0.000 1.450 280 G CA -0.460 44.643 45.100 0.004 0.000 0.837 280 G HN 0.431 nan 8.290 nan 0.000 0.505 281 F N 1.425 121.343 119.950 -0.054 0.000 2.445 281 F HA 0.464 4.990 4.527 -0.000 0.000 0.359 281 F C 1.506 176.960 175.800 -0.577 0.000 1.101 281 F CA 0.335 58.202 58.000 -0.221 0.000 1.177 281 F CB 1.977 40.911 39.000 -0.109 0.000 1.110 281 F HN 0.584 nan 8.300 nan 0.000 0.522 282 A N 2.465 124.965 122.820 -0.533 0.000 2.021 282 A HA 0.234 4.554 4.320 -0.000 0.000 0.216 282 A C 0.785 178.269 177.584 -0.167 0.000 1.163 282 A CA 1.169 52.854 52.037 -0.587 0.000 0.676 282 A CB -0.249 18.558 19.000 -0.321 0.000 0.818 282 A HN 0.713 nan 8.150 nan 0.000 0.453 283 S N -3.070 112.608 115.700 -0.037 0.000 2.683 283 S HA 0.230 4.700 4.470 -0.000 0.000 0.269 283 S C -0.134 174.492 174.600 0.043 0.000 1.165 283 S CA -0.327 57.873 58.200 -0.001 0.000 0.840 283 S CB 0.026 63.218 63.200 -0.014 0.000 1.169 283 S HN 0.018 nan 8.310 nan 0.000 0.490 284 N N 0.604 119.297 118.700 -0.012 0.000 2.520 284 N HA 0.018 4.758 4.740 -0.000 0.000 0.185 284 N C 1.168 176.697 175.510 0.032 0.000 1.068 284 N CA 1.007 54.047 53.050 -0.016 0.000 0.911 284 N CB -0.284 38.186 38.487 -0.028 0.000 0.961 284 N HN 0.657 nan 8.380 nan 0.000 0.446 285 K N -0.498 119.914 120.400 0.021 0.000 2.244 285 K HA 0.083 4.403 4.320 -0.000 0.000 0.200 285 K C -0.282 176.302 176.600 -0.026 0.000 1.052 285 K CA 0.710 56.995 56.287 -0.003 0.000 0.980 285 K CB 0.487 32.978 32.500 -0.015 0.000 0.838 285 K HN -0.092 nan 8.250 nan 0.000 0.481 286 T N 0.992 115.536 114.554 -0.016 0.000 2.848 286 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 286 T C -0.546 174.076 174.700 -0.129 0.000 0.995 286 T CA -0.629 61.418 62.100 -0.089 0.000 0.970 286 T CB 1.871 70.689 68.868 -0.083 0.000 0.976 286 T HN 0.015 nan 8.240 nan 0.000 0.441 287 I N 2.552 122.955 120.570 -0.278 0.000 2.437 287 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 287 I C 0.217 176.189 176.117 -0.241 0.000 0.984 287 I CA -0.654 60.412 61.300 -0.390 0.000 1.214 287 I CB 1.526 39.166 38.000 -0.600 0.000 1.365 287 I HN 0.551 nan 8.210 nan 0.000 0.469 288 E N 4.509 124.654 120.200 -0.091 0.000 2.317 288 E HA 0.574 4.924 4.350 -0.000 0.000 0.270 288 E C -1.689 174.940 176.600 0.047 0.000 0.885 288 E CA -0.711 55.671 56.400 -0.029 0.000 0.760 288 E CB 2.515 32.390 29.700 0.292 0.000 1.227 288 E HN 0.491 nan 8.360 nan 0.000 0.434 289 c N 1.409 119.845 118.600 -0.273 0.000 2.698 289 c HA 0.805 5.375 4.570 -0.000 0.000 0.309 289 c C -0.285 173.523 174.090 -0.470 0.000 1.186 289 c CA -0.765 55.503 56.329 -0.102 0.000 1.474 289 c CB 1.098 43.644 42.510 0.060 0.000 2.020 289 c HN 0.801 nan 8.230 nan 0.000 0.474 290 A N 1.482 124.160 122.820 -0.237 0.000 2.273 290 A HA 0.774 5.094 4.320 -0.000 0.000 0.315 290 A C -0.229 177.355 177.584 0.001 0.000 1.256 290 A CA -0.199 51.721 52.037 -0.195 0.000 0.851 290 A CB 0.092 18.962 19.000 -0.217 0.000 1.172 290 A HN 1.003 nan 8.150 nan 0.000 0.508 291 c N 0.802 119.418 118.600 0.026 0.000 2.803 291 c HA 0.833 5.403 4.570 -0.000 0.000 0.389 291 c C 0.412 174.534 174.090 0.053 0.000 1.433 291 c CA -0.843 55.517 56.329 0.050 0.000 1.714 291 c CB 1.349 43.901 42.510 0.071 0.000 2.106 291 c HN 0.954 nan 8.230 nan 0.000 0.480 292 R N 1.119 121.654 120.500 0.058 0.000 2.387 292 R HA 0.409 4.749 4.340 -0.000 0.000 0.314 292 R C -1.492 174.880 176.300 0.120 0.000 0.958 292 R CA -0.044 56.087 56.100 0.052 0.000 0.846 292 R CB 0.817 31.126 30.300 0.014 0.000 1.147 292 R HN 0.835 nan 8.270 nan 0.000 0.447 293 D N 3.215 123.651 120.400 0.061 0.000 2.392 293 D HA 0.076 4.716 4.640 -0.000 0.000 0.228 293 D C -0.165 175.986 176.300 -0.249 0.000 1.074 293 D CA -0.300 53.703 54.000 0.004 0.000 0.838 293 D CB 1.403 42.238 40.800 0.059 0.000 1.067 293 D HN 0.601 nan 8.370 nan 0.000 0.511 294 N N 1.623 119.954 118.700 -0.615 0.000 2.467 294 N HA -0.004 4.736 4.740 -0.000 0.000 0.184 294 N C 0.598 175.817 175.510 -0.484 0.000 1.106 294 N CA 0.504 53.287 53.050 -0.445 0.000 0.892 294 N CB 0.515 38.832 38.487 -0.283 0.000 0.969 294 N HN 0.175 nan 8.380 nan 0.000 0.454 295 S N -1.749 113.560 115.700 -0.652 0.000 3.039 295 S HA 0.182 4.651 4.470 -0.000 0.000 0.251 295 S C 0.767 174.997 174.600 -0.615 0.000 1.064 295 S CA -0.086 57.679 58.200 -0.726 0.000 0.822 295 S CB 0.035 62.524 63.200 -1.186 0.000 0.802 295 S HN 0.293 nan 8.310 nan 0.000 0.519 296 Y N 1.392 121.606 120.300 -0.145 0.000 2.535 296 Y HA 0.461 5.011 4.550 -0.000 0.000 0.266 296 Y C 1.088 176.926 175.900 -0.103 0.000 1.088 296 Y CA 0.187 58.231 58.100 -0.093 0.000 1.285 296 Y CB 0.488 38.915 38.460 -0.056 0.000 1.166 296 Y HN 0.173 nan 8.280 nan 0.000 0.525 297 T N -1.147 113.418 114.554 0.019 0.000 2.889 297 T HA 0.642 4.992 4.350 -0.000 0.000 0.315 297 T C 0.017 174.662 174.700 -0.091 0.000 1.291 297 T CA -0.119 61.951 62.100 -0.050 0.000 1.028 297 T CB 1.497 70.344 68.868 -0.035 0.000 1.235 297 T HN 0.007 nan 8.240 nan 0.000 0.491 298 A N 2.515 125.243 122.820 -0.153 0.000 2.308 298 A HA 0.371 4.691 4.320 -0.000 0.000 0.217 298 A C 0.723 178.245 177.584 -0.104 0.000 1.216 298 A CA 0.155 52.110 52.037 -0.136 0.000 0.864 298 A CB -0.100 18.794 19.000 -0.177 0.000 0.902 298 A HN 0.650 nan 8.150 nan 0.000 0.499 299 K N 0.923 121.248 120.400 -0.124 0.000 2.218 299 K HA 0.351 4.671 4.320 -0.000 0.000 0.276 299 K C -0.417 176.188 176.600 0.008 0.000 1.022 299 K CA -0.390 55.882 56.287 -0.025 0.000 0.946 299 K CB 1.021 33.498 32.500 -0.038 0.000 1.000 299 K HN 0.261 nan 8.250 nan 0.000 0.468 300 R N 2.886 123.404 120.500 0.029 0.000 2.308 300 R HA 0.180 4.520 4.340 -0.000 0.000 0.305 300 R C -2.354 174.016 176.300 0.116 0.000 1.053 300 R CA -1.967 54.166 56.100 0.055 0.000 0.957 300 R CB 0.422 30.745 30.300 0.038 0.000 1.022 300 R HN 0.332 nan 8.270 nan 0.000 0.461 301 P HA -0.082 nan 4.420 nan 0.000 0.265 301 P C -1.069 176.379 177.300 0.247 0.000 1.193 301 P CA 0.396 63.598 63.100 0.171 0.000 0.765 301 P CB 0.320 32.105 31.700 0.142 0.000 0.823 302 F N 4.129 124.212 119.950 0.222 0.000 2.460 302 F HA 0.357 4.883 4.527 -0.000 0.000 0.341 302 F C -0.740 175.314 175.800 0.424 0.000 1.130 302 F CA -0.775 57.390 58.000 0.275 0.000 0.962 302 F CB 1.047 40.223 39.000 0.293 0.000 1.171 302 F HN -0.037 nan 8.300 nan 0.000 0.436 303 V N 6.101 125.992 119.914 -0.039 0.000 2.509 303 V HA 0.363 4.483 4.120 -0.000 0.000 0.284 303 V C -0.433 175.640 176.094 -0.035 0.000 1.047 303 V CA -0.754 61.602 62.300 0.094 0.000 0.952 303 V CB 1.491 33.356 31.823 0.070 0.000 0.988 303 V HN 0.577 nan 8.190 nan 0.000 0.469 304 K N 5.216 125.687 120.400 0.118 0.000 2.394 304 K HA 0.560 4.880 4.320 -0.000 0.000 0.260 304 K C -1.181 175.359 176.600 -0.101 0.000 0.967 304 K CA -0.504 55.761 56.287 -0.037 0.000 0.855 304 K CB 2.197 34.635 32.500 -0.103 0.000 1.101 304 K HN 0.507 nan 8.250 nan 0.000 0.433 305 L N 3.652 124.728 121.223 -0.244 0.000 2.298 305 L HA 0.305 4.645 4.340 -0.000 0.000 0.284 305 L C -0.643 176.058 176.870 -0.283 0.000 1.013 305 L CA -0.706 53.925 54.840 -0.348 0.000 0.824 305 L CB 1.020 42.705 42.059 -0.623 0.000 1.221 305 L HN 0.611 nan 8.230 nan 0.000 0.418 306 N N 3.944 122.529 118.700 -0.191 0.000 2.401 306 N HA 0.023 4.763 4.740 -0.000 0.000 0.255 306 N C 0.801 176.194 175.510 -0.195 0.000 1.110 306 N CA -0.126 52.836 53.050 -0.147 0.000 0.949 306 N CB 1.665 40.109 38.487 -0.070 0.000 1.110 306 N HN 0.590 nan 8.380 nan 0.000 0.490 307 V N 1.453 121.222 119.914 -0.242 0.000 3.041 307 V HA 0.039 4.159 4.120 -0.000 0.000 0.260 307 V C 1.474 177.534 176.094 -0.055 0.000 1.105 307 V CA 1.074 63.205 62.300 -0.282 0.000 1.125 307 V CB -0.429 31.163 31.823 -0.384 0.000 0.730 307 V HN 0.515 nan 8.190 nan 0.000 0.479 308 E N 1.850 122.028 120.200 -0.035 0.000 2.076 308 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 308 E C 2.266 178.870 176.600 0.007 0.000 0.979 308 E CA 1.744 58.145 56.400 0.002 0.000 0.807 308 E CB -0.206 29.494 29.700 0.001 0.000 0.761 308 E HN 0.847 nan 8.360 nan 0.000 0.454 309 T N -1.989 112.561 114.554 -0.006 0.000 3.060 309 T HA 0.015 4.365 4.350 -0.000 0.000 0.249 309 T C 0.133 174.837 174.700 0.008 0.000 1.079 309 T CA 0.059 62.161 62.100 0.004 0.000 1.013 309 T CB 0.125 68.995 68.868 0.003 0.000 0.975 309 T HN -0.114 nan 8.240 nan 0.000 0.518 310 D N 2.393 122.792 120.400 -0.001 0.000 2.699 310 D HA -0.116 4.524 4.640 -0.000 0.000 0.239 310 D C -0.114 176.180 176.300 -0.010 0.000 1.136 310 D CA 1.481 55.492 54.000 0.018 0.000 0.668 310 D CB -1.718 39.126 40.800 0.073 0.000 1.060 310 D HN 0.808 nan 8.370 nan 0.000 0.429 311 T N -2.877 111.654 114.554 -0.039 0.000 2.863 311 T HA 0.814 5.164 4.350 -0.000 0.000 0.285 311 T C -0.254 174.415 174.700 -0.052 0.000 1.009 311 T CA -0.493 61.596 62.100 -0.018 0.000 0.989 311 T CB 2.773 71.648 68.868 0.012 0.000 1.004 311 T HN 0.313 nan 8.240 nan 0.000 0.455 312 A N 1.813 124.619 122.820 -0.022 0.000 2.371 312 A HA 0.810 5.130 4.320 -0.000 0.000 0.311 312 A C -0.581 177.044 177.584 0.069 0.000 1.068 312 A CA -0.793 51.218 52.037 -0.043 0.000 0.744 312 A CB 1.583 20.508 19.000 -0.127 0.000 1.239 312 A HN 0.950 nan 8.150 nan 0.000 0.435 313 E N 1.391 121.682 120.200 0.152 0.000 2.288 313 E HA 0.726 5.076 4.350 -0.000 0.000 0.268 313 E C -1.670 175.118 176.600 0.313 0.000 0.885 313 E CA -0.579 55.949 56.400 0.214 0.000 0.767 313 E CB 1.710 31.588 29.700 0.296 0.000 1.220 313 E HN 0.607 nan 8.360 nan 0.000 0.427 314 I N 3.029 123.669 120.570 0.117 0.000 2.512 314 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 314 I C -0.479 175.533 176.117 -0.176 0.000 1.069 314 I CA -0.650 60.734 61.300 0.141 0.000 1.056 314 I CB 1.918 39.998 38.000 0.133 0.000 1.229 314 I HN 0.324 nan 8.210 nan 0.000 0.429 315 R N 5.137 125.473 120.500 -0.273 0.000 2.725 315 R HA 0.641 4.981 4.340 -0.000 0.000 0.277 315 R C -1.151 175.090 176.300 -0.098 0.000 0.987 315 R CA -1.070 54.688 56.100 -0.569 0.000 0.901 315 R CB 2.745 32.119 30.300 -1.543 0.000 1.207 315 R HN 0.471 nan 8.270 nan 0.000 0.463 316 L N 2.679 123.862 121.223 -0.066 0.000 2.485 316 L HA 0.176 4.516 4.340 -0.000 0.000 0.275 316 L C 0.624 177.575 176.870 0.134 0.000 1.207 316 L CA 0.314 55.190 54.840 0.059 0.000 0.855 316 L CB 0.253 42.315 42.059 0.005 0.000 1.114 316 L HN 0.447 nan 8.230 nan 0.000 0.485 317 M N 2.070 121.760 119.600 0.151 0.000 2.246 317 M HA -0.043 4.437 4.480 -0.000 0.000 0.350 317 M C 0.940 177.257 176.300 0.029 0.000 1.406 317 M CA 0.065 55.402 55.300 0.062 0.000 1.089 317 M CB 0.780 33.359 32.600 -0.034 0.000 1.782 317 M HN 0.795 nan 8.290 nan 0.000 0.457 318 c N 2.473 121.075 118.600 0.004 0.000 2.533 318 c HA 0.018 4.588 4.570 -0.000 0.000 0.272 318 c C 1.592 175.679 174.090 -0.005 0.000 1.371 318 c CA 0.324 56.663 56.329 0.016 0.000 1.758 318 c CB -0.403 42.117 42.510 0.016 0.000 1.972 318 c HN 0.883 nan 8.230 nan 0.000 0.522 319 T N 1.435 115.940 114.554 -0.082 0.000 2.933 319 T HA -0.034 4.316 4.350 -0.000 0.000 0.306 319 T C 1.239 175.820 174.700 -0.199 0.000 1.045 319 T CA 0.758 62.765 62.100 -0.155 0.000 1.143 319 T CB 0.399 69.117 68.868 -0.250 0.000 1.003 319 T HN 0.782 nan 8.240 nan 0.000 0.540 320 E N 2.298 122.327 120.200 -0.285 0.000 2.409 320 E HA -0.046 4.304 4.350 -0.000 0.000 0.198 320 E C 0.396 176.388 176.600 -1.014 0.000 1.024 320 E CA 0.506 56.560 56.400 -0.576 0.000 0.861 320 E CB -0.159 29.347 29.700 -0.324 0.000 0.788 320 E HN 0.498 nan 8.360 nan 0.000 0.521 321 T N 2.488 116.654 114.554 -0.647 0.000 3.688 321 T HA 0.090 4.440 4.350 -0.000 0.000 0.307 321 T C -0.920 173.462 174.700 -0.530 0.000 1.382 321 T CA -0.433 61.306 62.100 -0.601 0.000 1.136 321 T CB -0.684 67.880 68.868 -0.507 0.000 1.207 321 T HN 0.094 nan 8.240 nan 0.000 0.854 322 Y N 1.459 121.629 120.300 -0.217 0.000 2.632 322 Y HA 0.097 4.647 4.550 -0.000 0.000 0.329 322 Y C 1.252 177.025 175.900 -0.211 0.000 1.174 322 Y CA -1.113 56.875 58.100 -0.187 0.000 1.469 322 Y CB -0.015 38.371 38.460 -0.124 0.000 1.242 322 Y HN 0.454 nan 8.280 nan 0.000 0.540 323 L N 1.507 122.692 121.223 -0.063 0.000 2.585 323 L HA 0.110 4.450 4.340 -0.000 0.000 0.226 323 L C 0.564 177.413 176.870 -0.035 0.000 1.113 323 L CA 0.130 54.901 54.840 -0.115 0.000 0.876 323 L CB 0.033 41.997 42.059 -0.157 0.000 1.072 323 L HN 0.586 nan 8.230 nan 0.000 0.468 324 D N -0.034 120.361 120.400 -0.009 0.000 2.348 324 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 324 D C -0.411 175.881 176.300 -0.015 0.000 1.110 324 D CA 0.233 54.226 54.000 -0.012 0.000 0.967 324 D CB 1.437 42.223 40.800 -0.024 0.000 1.139 324 D HN -0.186 nan 8.370 nan 0.000 0.466 325 T N 2.472 117.011 114.554 -0.025 0.000 2.881 325 T HA 0.461 4.811 4.350 -0.000 0.000 0.291 325 T C -2.485 172.181 174.700 -0.057 0.000 0.990 325 T CA -1.157 60.920 62.100 -0.038 0.000 0.976 325 T CB 1.998 70.839 68.868 -0.045 0.000 0.970 325 T HN 0.181 nan 8.240 nan 0.000 0.438 326 P HA 0.547 nan 4.420 nan 0.000 0.275 326 P C -0.569 176.706 177.300 -0.042 0.000 1.266 326 P CA -0.731 62.339 63.100 -0.051 0.000 0.793 326 P CB 0.584 32.249 31.700 -0.057 0.000 1.074 327 R N -1.448 119.037 120.500 -0.025 0.000 2.664 327 R HA 0.569 4.909 4.340 -0.000 0.000 0.266 327 R C -3.148 173.161 176.300 0.015 0.000 1.046 327 R CA -1.768 54.328 56.100 -0.007 0.000 0.885 327 R CB 0.597 30.926 30.300 0.048 0.000 1.254 327 R HN 0.176 nan 8.270 nan 0.000 0.465 328 P HA 0.180 nan 4.420 nan 0.000 0.302 328 P C -0.905 176.467 177.300 0.121 0.000 1.307 328 P CA -0.355 62.772 63.100 0.044 0.000 0.754 328 P CB 0.370 32.074 31.700 0.007 0.000 1.298 329 D N 0.171 120.626 120.400 0.092 0.000 2.443 329 D HA 0.047 4.687 4.640 -0.000 0.000 0.239 329 D C -0.109 176.259 176.300 0.114 0.000 1.136 329 D CA 0.535 54.580 54.000 0.075 0.000 0.879 329 D CB -0.185 40.639 40.800 0.041 0.000 1.195 329 D HN 0.220 nan 8.370 nan 0.000 0.443 330 D N 0.341 120.721 120.400 -0.033 0.000 2.533 330 D HA 0.235 4.875 4.640 -0.000 0.000 0.236 330 D C 1.606 177.821 176.300 -0.143 0.000 1.137 330 D CA 0.991 54.838 54.000 -0.256 0.000 0.867 330 D CB 0.423 41.065 40.800 -0.264 0.000 1.170 330 D HN 0.610 nan 8.370 nan 0.000 0.474 331 G N 1.850 110.529 108.800 -0.202 0.000 2.189 331 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.267 331 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.267 331 G C 1.217 176.187 174.900 0.117 0.000 0.975 331 G CA 1.016 46.112 45.100 -0.006 0.000 0.644 331 G HN 0.629 nan 8.290 nan 0.000 0.537 332 S N -0.561 115.251 115.700 0.187 0.000 2.489 332 S HA 0.275 4.745 4.470 -0.000 0.000 0.228 332 S C 1.196 175.851 174.600 0.091 0.000 0.995 332 S CA 0.550 58.821 58.200 0.118 0.000 0.934 332 S CB -0.019 63.239 63.200 0.097 0.000 0.771 332 S HN 0.578 nan 8.310 nan 0.000 0.522 333 I N 4.360 125.009 120.570 0.131 0.000 2.389 333 I HA 0.090 4.260 4.170 -0.000 0.000 0.295 333 I C 0.872 177.009 176.117 0.034 0.000 1.117 333 I CA -0.333 60.967 61.300 -0.000 0.000 1.317 333 I CB -0.121 37.767 38.000 -0.187 0.000 1.431 333 I HN 0.263 nan 8.210 nan 0.000 0.521 334 T N 2.809 117.369 114.554 0.010 0.000 2.813 334 T HA 0.586 4.936 4.350 -0.000 0.000 0.297 334 T C 0.675 175.373 174.700 -0.002 0.000 1.036 334 T CA 0.063 62.169 62.100 0.009 0.000 1.044 334 T CB 1.459 70.328 68.868 0.001 0.000 0.993 334 T HN 1.005 nan 8.240 nan 0.000 0.535 335 G N 1.534 110.334 108.800 -0.001 0.000 2.728 335 G HA2 0.016 3.976 3.960 -0.000 0.000 0.294 335 G HA3 0.016 3.976 3.960 -0.000 0.000 0.294 335 G C -2.461 172.437 174.900 -0.004 0.000 1.342 335 G CA -0.537 44.559 45.100 -0.007 0.000 0.866 335 G HN 0.905 nan 8.290 nan 0.000 0.534 336 P HA 0.256 nan 4.420 nan 0.000 0.280 336 P C 1.426 178.721 177.300 -0.007 0.000 1.278 336 P CA 0.216 63.310 63.100 -0.009 0.000 0.787 336 P CB 0.060 31.750 31.700 -0.017 0.000 1.163 337 c N -0.356 118.241 118.600 -0.005 0.000 2.403 337 c HA -0.103 4.467 4.570 -0.000 0.000 0.282 337 c C 2.318 176.394 174.090 -0.022 0.000 1.297 337 c CA 1.073 57.401 56.329 -0.001 0.000 1.785 337 c CB -1.504 41.009 42.510 0.005 0.000 1.963 337 c HN 0.638 nan 8.230 nan 0.000 0.507 338 E N 0.883 121.058 120.200 -0.041 0.000 2.435 338 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 338 E C 0.613 177.178 176.600 -0.058 0.000 1.029 338 E CA 0.247 56.609 56.400 -0.062 0.000 0.865 338 E CB -0.342 29.312 29.700 -0.077 0.000 0.833 338 E HN 0.429 nan 8.360 nan 0.000 0.510 339 S N 2.338 118.010 115.700 -0.048 0.000 2.549 339 S HA 0.044 4.513 4.470 -0.000 0.000 0.286 339 S C 0.971 175.528 174.600 -0.072 0.000 1.314 339 S CA -0.448 57.720 58.200 -0.054 0.000 1.062 339 S CB 0.665 63.838 63.200 -0.044 0.000 0.865 339 S HN 0.188 nan 8.310 nan 0.000 0.498 340 N N 3.009 121.668 118.700 -0.068 0.000 2.039 340 N HA -0.064 4.676 4.740 -0.000 0.000 0.193 340 N C 1.816 177.251 175.510 -0.125 0.000 1.044 340 N CA 1.617 54.625 53.050 -0.070 0.000 0.847 340 N CB -0.582 37.891 38.487 -0.023 0.000 1.030 340 N HN 0.689 nan 8.380 nan 0.000 0.422 341 G N -0.173 108.547 108.800 -0.132 0.000 2.688 341 G HA2 0.027 3.987 3.960 -0.000 0.000 0.214 341 G HA3 0.027 3.987 3.960 -0.000 0.000 0.214 341 G C 0.097 174.949 174.900 -0.079 0.000 1.211 341 G CA 0.107 45.159 45.100 -0.080 0.000 0.853 341 G HN 0.155 nan 8.290 nan 0.000 0.591 342 D N -0.753 119.583 120.400 -0.108 0.000 2.384 342 D HA 0.434 5.073 4.640 -0.000 0.000 0.250 342 D C 0.122 176.362 176.300 -0.101 0.000 1.029 342 D CA -0.551 53.398 54.000 -0.085 0.000 0.990 342 D CB 1.547 42.308 40.800 -0.064 0.000 1.175 342 D HN 0.137 nan 8.370 nan 0.000 0.532 343 K N -0.463 119.891 120.400 -0.078 0.000 3.069 343 K HA -0.188 4.132 4.320 -0.000 0.000 0.267 343 K C 1.031 177.574 176.600 -0.094 0.000 1.082 343 K CA 0.648 56.888 56.287 -0.078 0.000 0.782 343 K CB -1.138 31.321 32.500 -0.067 0.000 1.230 343 K HN 0.597 nan 8.250 nan 0.000 0.488 344 G N -0.028 108.712 108.800 -0.099 0.000 2.683 344 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.213 344 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.213 344 G C 0.239 175.053 174.900 -0.142 0.000 1.142 344 G CA 0.365 45.399 45.100 -0.110 0.000 0.793 344 G HN 0.458 nan 8.290 nan 0.000 0.534 345 S N 0.179 115.791 115.700 -0.147 0.000 2.564 345 S HA 0.554 5.023 4.470 -0.000 0.000 0.278 345 S C 0.666 175.182 174.600 -0.140 0.000 1.333 345 S CA 0.150 58.244 58.200 -0.176 0.000 1.048 345 S CB 1.164 64.270 63.200 -0.156 0.000 0.900 345 S HN 1.668 nan 8.310 nan 0.000 0.505 346 G N 1.330 110.041 108.800 -0.149 0.000 2.757 346 G HA2 0.444 4.404 3.960 -0.000 0.000 0.638 346 G HA3 0.444 4.404 3.960 -0.000 0.000 0.638 346 G C -0.078 174.761 174.900 -0.101 0.000 1.344 346 G CA -0.370 44.666 45.100 -0.106 0.000 0.855 346 G HN 2.299 nan 8.290 nan 0.000 0.537 347 G N -1.642 107.119 108.800 -0.065 0.000 2.323 347 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 347 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 347 G C -1.473 173.421 174.900 -0.010 0.000 1.278 347 G CA 0.244 45.316 45.100 -0.047 0.000 0.860 347 G HN 1.998 nan 8.290 nan 0.000 0.504 348 I N -0.391 120.173 120.570 -0.009 0.000 2.828 348 I HA 0.452 4.622 4.170 -0.000 0.000 0.295 348 I C -0.573 175.472 176.117 -0.121 0.000 1.459 348 I CA -0.876 60.431 61.300 0.011 0.000 1.015 348 I CB 2.142 40.172 38.000 0.049 0.000 1.345 348 I HN 0.624 nan 8.210 nan 0.000 0.449 349 K N 4.006 124.140 120.400 -0.445 0.000 2.412 349 K HA 0.464 4.784 4.320 -0.000 0.000 0.281 349 K C -0.287 176.263 176.600 -0.084 0.000 1.027 349 K CA 0.115 56.154 56.287 -0.412 0.000 0.989 349 K CB 0.817 32.801 32.500 -0.859 0.000 0.935 349 K HN 0.750 nan 8.250 nan 0.000 0.475 350 G N 1.973 110.788 108.800 0.025 0.000 2.495 350 G HA2 0.516 4.476 3.960 -0.000 0.000 0.318 350 G HA3 0.516 4.476 3.960 -0.000 0.000 0.318 350 G C -0.455 174.563 174.900 0.197 0.000 1.257 350 G CA -0.862 44.307 45.100 0.115 0.000 0.962 350 G HN 0.724 nan 8.290 nan 0.000 0.483 351 G N -0.712 108.221 108.800 0.222 0.000 2.539 351 G HA2 0.572 4.532 3.960 -0.000 0.000 0.258 351 G HA3 0.572 4.532 3.960 -0.000 0.000 0.258 351 G C -1.301 173.811 174.900 0.353 0.000 1.202 351 G CA -0.302 44.949 45.100 0.251 0.000 0.851 351 G HN 0.866 nan 8.290 nan 0.000 0.556 352 F N 0.725 120.728 119.950 0.088 0.000 2.660 352 F HA 0.532 5.059 4.527 -0.000 0.000 0.320 352 F C -1.491 174.274 175.800 -0.059 0.000 1.099 352 F CA -1.049 56.932 58.000 -0.032 0.000 1.061 352 F CB 1.169 40.179 39.000 0.017 0.000 1.300 352 F HN 0.642 nan 8.300 nan 0.000 0.479 353 V N 5.215 124.715 119.914 -0.690 0.000 3.077 353 V HA 0.461 4.581 4.120 -0.000 0.000 0.299 353 V C -1.555 174.176 176.094 -0.604 0.000 1.276 353 V CA -0.576 61.372 62.300 -0.587 0.000 0.993 353 V CB 2.418 34.172 31.823 -0.115 0.000 1.076 353 V HN 0.872 nan 8.190 nan 0.000 0.434 354 H N 3.204 122.109 119.070 -0.276 0.000 2.467 354 H HA 0.549 5.105 4.556 -0.000 0.000 0.331 354 H C -0.210 175.171 175.328 0.088 0.000 1.120 354 H CA -0.115 55.882 56.048 -0.085 0.000 1.270 354 H CB 1.320 31.032 29.762 -0.082 0.000 1.466 354 H HN 0.606 nan 8.280 nan 0.000 0.504 355 Q N 3.351 123.347 119.800 0.326 0.000 2.425 355 Q HA 0.268 4.608 4.340 -0.000 0.000 0.254 355 Q C -0.817 175.334 176.000 0.252 0.000 1.032 355 Q CA -0.850 55.140 55.803 0.312 0.000 0.798 355 Q CB 0.383 29.434 28.738 0.522 0.000 1.210 355 Q HN 0.614 nan 8.270 nan 0.000 0.491 356 R N 3.766 124.371 120.500 0.175 0.000 2.210 356 R HA 0.360 4.700 4.340 -0.000 0.000 0.338 356 R C -0.392 175.974 176.300 0.110 0.000 1.062 356 R CA 0.221 56.397 56.100 0.127 0.000 0.902 356 R CB 0.761 31.108 30.300 0.078 0.000 1.050 356 R HN 0.510 nan 8.270 nan 0.000 0.461 357 M N 0.747 120.416 119.600 0.115 0.000 2.762 357 M HA 0.367 4.847 4.480 -0.000 0.000 0.306 357 M C 1.238 177.573 176.300 0.058 0.000 1.223 357 M CA -0.506 54.846 55.300 0.087 0.000 0.896 357 M CB 1.636 34.296 32.600 0.101 0.000 1.684 357 M HN 0.650 nan 8.290 nan 0.000 0.491 358 A N 0.068 122.912 122.820 0.039 0.000 1.859 358 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 358 A C 1.597 179.195 177.584 0.024 0.000 1.209 358 A CA 2.299 54.351 52.037 0.024 0.000 0.639 358 A CB -0.691 18.318 19.000 0.015 0.000 0.835 358 A HN 0.714 nan 8.150 nan 0.000 0.450 359 S N -1.054 114.662 115.700 0.026 0.000 2.711 359 S HA 0.374 4.844 4.470 -0.000 0.000 0.247 359 S C -0.125 174.496 174.600 0.036 0.000 1.079 359 S CA -0.343 57.872 58.200 0.024 0.000 1.050 359 S CB 0.019 63.227 63.200 0.013 0.000 0.885 359 S HN 0.522 nan 8.310 nan 0.000 0.498 360 K N 1.168 121.603 120.400 0.058 0.000 2.551 360 K HA 0.561 4.881 4.320 -0.000 0.000 0.269 360 K C -2.003 174.679 176.600 0.136 0.000 0.949 360 K CA -0.629 55.713 56.287 0.092 0.000 0.849 360 K CB 2.040 34.589 32.500 0.082 0.000 1.411 360 K HN 0.195 nan 8.250 nan 0.000 0.432 361 I N 1.358 122.029 120.570 0.169 0.000 2.545 361 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 361 I C -0.547 175.701 176.117 0.218 0.000 1.040 361 I CA -0.368 61.046 61.300 0.190 0.000 1.068 361 I CB 1.868 39.955 38.000 0.145 0.000 1.251 361 I HN 0.677 nan 8.210 nan 0.000 0.424 362 G N 6.519 115.429 108.800 0.184 0.000 2.372 362 G HA2 0.578 4.538 3.960 -0.000 0.000 0.323 362 G HA3 0.578 4.538 3.960 -0.000 0.000 0.323 362 G C -0.993 173.808 174.900 -0.165 0.000 1.152 362 G CA -0.678 44.296 45.100 -0.211 0.000 0.906 362 G HN 0.594 nan 8.290 nan 0.000 0.460 363 R N 1.271 121.548 120.500 -0.372 0.000 2.310 363 R HA 0.311 4.651 4.340 -0.000 0.000 0.324 363 R C -1.322 174.619 176.300 -0.597 0.000 0.955 363 R CA -0.522 55.389 56.100 -0.315 0.000 0.830 363 R CB 1.787 32.063 30.300 -0.039 0.000 1.154 363 R HN 0.542 nan 8.270 nan 0.000 0.458 364 W N 2.886 123.886 121.300 -0.500 0.000 2.520 364 W HA 0.412 5.072 4.660 -0.000 0.000 0.323 364 W C -0.436 175.847 176.519 -0.393 0.000 1.062 364 W CA -0.194 56.901 57.345 -0.416 0.000 1.215 364 W CB 0.909 30.095 29.460 -0.458 0.000 1.340 364 W HN 0.424 nan 8.180 nan 0.000 0.516 365 Y N 0.891 121.311 120.300 0.200 0.000 2.581 365 Y HA 0.570 5.120 4.550 -0.000 0.000 0.345 365 Y C 0.088 176.093 175.900 0.176 0.000 1.036 365 Y CA -1.346 56.876 58.100 0.204 0.000 1.042 365 Y CB 2.273 40.804 38.460 0.119 0.000 1.289 365 Y HN 0.299 nan 8.280 nan 0.000 0.471 366 S N 1.736 117.634 115.700 0.331 0.000 2.536 366 S HA 0.943 5.413 4.470 -0.000 0.000 0.287 366 S C -1.086 173.637 174.600 0.205 0.000 1.101 366 S CA -1.040 57.309 58.200 0.247 0.000 0.950 366 S CB 2.379 65.657 63.200 0.130 0.000 1.056 366 S HN 0.838 nan 8.310 nan 0.000 0.481 367 R N -0.340 120.288 120.500 0.213 0.000 2.740 367 R HA 0.688 5.028 4.340 -0.000 0.000 0.273 367 R C -0.520 175.860 176.300 0.133 0.000 0.998 367 R CA -0.787 55.385 56.100 0.120 0.000 0.900 367 R CB 0.600 30.902 30.300 0.004 0.000 1.223 367 R HN 0.696 nan 8.270 nan 0.000 0.466 368 T N -0.196 114.408 114.554 0.084 0.000 2.906 368 T HA 0.028 4.378 4.350 -0.000 0.000 0.320 368 T C 1.064 175.811 174.700 0.078 0.000 1.088 368 T CA -0.412 61.730 62.100 0.071 0.000 1.120 368 T CB 0.494 69.380 68.868 0.031 0.000 1.000 368 T HN 0.617 nan 8.240 nan 0.000 0.550 369 M N 1.711 121.352 119.600 0.068 0.000 2.175 369 M HA 0.107 4.587 4.480 -0.000 0.000 0.264 369 M C 1.457 177.785 176.300 0.046 0.000 1.063 369 M CA 1.031 56.369 55.300 0.064 0.000 1.119 369 M CB -0.543 32.086 32.600 0.048 0.000 1.377 369 M HN 0.814 nan 8.290 nan 0.000 0.415 370 S N -0.128 115.591 115.700 0.030 0.000 2.537 370 S HA 0.152 4.622 4.470 -0.000 0.000 0.275 370 S C 0.998 175.602 174.600 0.007 0.000 1.272 370 S CA -0.439 57.770 58.200 0.015 0.000 1.050 370 S CB 0.693 63.896 63.200 0.006 0.000 0.961 370 S HN 0.340 nan 8.310 nan 0.000 0.496 371 K N 2.514 122.917 120.400 0.006 0.000 2.211 371 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 371 K C 1.290 177.882 176.600 -0.015 0.000 1.050 371 K CA 1.568 57.856 56.287 0.002 0.000 0.945 371 K CB -0.048 32.458 32.500 0.009 0.000 0.732 371 K HN 0.626 nan 8.250 nan 0.000 0.451 372 T N -0.074 114.467 114.554 -0.022 0.000 2.999 372 T HA 0.108 4.458 4.350 -0.000 0.000 0.247 372 T C 0.426 175.091 174.700 -0.058 0.000 1.012 372 T CA 0.222 62.300 62.100 -0.037 0.000 1.048 372 T CB 0.474 69.324 68.868 -0.029 0.000 1.020 372 T HN 0.020 nan 8.240 nan 0.000 0.478 373 K N 1.165 121.533 120.400 -0.055 0.000 2.185 373 K HA 0.520 4.839 4.320 -0.000 0.000 0.240 373 K C -0.246 176.287 176.600 -0.111 0.000 0.983 373 K CA -0.828 55.411 56.287 -0.081 0.000 0.873 373 K CB 1.533 34.008 32.500 -0.041 0.000 1.118 373 K HN -0.108 nan 8.250 nan 0.000 0.441 374 R N 1.335 121.712 120.500 -0.204 0.000 4.609 374 R HA 0.201 4.541 4.340 -0.000 0.000 0.235 374 R C -0.470 175.798 176.300 -0.053 0.000 1.836 374 R CA -0.023 55.902 56.100 -0.291 0.000 1.564 374 R CB -0.036 29.710 30.300 -0.923 0.000 1.382 374 R HN 0.211 nan 8.270 nan 0.000 0.776 375 M N 0.488 120.094 119.600 0.009 0.000 2.321 375 M HA 0.378 4.858 4.480 -0.000 0.000 0.315 375 M C 0.470 176.806 176.300 0.061 0.000 1.052 375 M CA -0.542 54.797 55.300 0.065 0.000 0.936 375 M CB 1.542 34.170 32.600 0.048 0.000 1.639 375 M HN 0.505 nan 8.290 nan 0.000 0.433 376 G N 2.924 111.769 108.800 0.076 0.000 2.814 376 G HA2 0.017 3.977 3.960 -0.000 0.000 0.677 376 G HA3 0.017 3.977 3.960 -0.000 0.000 0.677 376 G C -1.249 173.691 174.900 0.066 0.000 1.429 376 G CA -0.722 44.414 45.100 0.060 0.000 0.868 376 G HN 0.702 nan 8.290 nan 0.000 0.553 377 M N 0.638 120.264 119.600 0.042 0.000 2.274 377 M HA 0.632 5.112 4.480 -0.000 0.000 0.272 377 M C -0.029 176.264 176.300 -0.013 0.000 1.053 377 M CA 0.333 55.655 55.300 0.037 0.000 0.978 377 M CB 1.667 34.285 32.600 0.029 0.000 1.836 377 M HN 1.837 nan 8.290 nan 0.000 0.484 378 G N 3.136 111.960 108.800 0.039 0.000 2.420 378 G HA2 0.683 4.643 3.960 -0.000 0.000 0.331 378 G HA3 0.683 4.643 3.960 -0.000 0.000 0.331 378 G C -2.091 172.759 174.900 -0.084 0.000 1.168 378 G CA -0.592 44.471 45.100 -0.060 0.000 0.936 378 G HN 0.707 nan 8.290 nan 0.000 0.479 379 L N 1.111 122.170 121.223 -0.273 0.000 2.317 379 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 379 L C -1.384 175.309 176.870 -0.294 0.000 1.024 379 L CA -0.990 53.753 54.840 -0.161 0.000 0.810 379 L CB 1.032 42.992 42.059 -0.166 0.000 1.240 379 L HN 0.510 nan 8.230 nan 0.000 0.427 380 Y N 3.328 123.647 120.300 0.032 0.000 2.512 380 Y HA 0.719 5.269 4.550 -0.000 0.000 0.348 380 Y C -0.529 175.314 175.900 -0.094 0.000 0.990 380 Y CA -0.715 57.382 58.100 -0.004 0.000 1.033 380 Y CB 2.316 40.785 38.460 0.016 0.000 1.259 380 Y HN 0.410 nan 8.280 nan 0.000 0.461 381 V N 3.049 122.877 119.914 -0.143 0.000 2.962 381 V HA 0.712 4.832 4.120 -0.000 0.000 0.313 381 V C -1.579 174.282 176.094 -0.388 0.000 1.099 381 V CA -0.800 61.145 62.300 -0.591 0.000 0.971 381 V CB 2.182 33.091 31.823 -1.523 0.000 1.028 381 V HN 0.803 nan 8.190 nan 0.000 0.430 382 K N 3.773 123.885 120.400 -0.480 0.000 2.525 382 K HA 0.549 4.869 4.320 -0.000 0.000 0.254 382 K C -2.239 174.110 176.600 -0.418 0.000 0.934 382 K CA -0.581 55.530 56.287 -0.294 0.000 0.802 382 K CB 1.960 34.409 32.500 -0.085 0.000 1.295 382 K HN 0.664 nan 8.250 nan 0.000 0.433 383 Y N 2.935 123.176 120.300 -0.098 0.000 2.330 383 Y HA 0.241 4.791 4.550 -0.000 0.000 0.336 383 Y C 0.361 176.246 175.900 -0.026 0.000 1.036 383 Y CA 0.157 58.222 58.100 -0.059 0.000 1.125 383 Y CB 1.130 39.559 38.460 -0.052 0.000 1.194 383 Y HN 0.802 nan 8.280 nan 0.000 0.469 384 D N 0.495 120.970 120.400 0.126 0.000 3.831 384 D HA -0.150 4.490 4.640 -0.000 0.000 0.276 384 D C 0.638 176.952 176.300 0.023 0.000 2.100 384 D CA 1.673 55.716 54.000 0.072 0.000 1.140 384 D CB -0.771 40.073 40.800 0.074 0.000 0.949 384 D HN 1.082 nan 8.370 nan 0.000 1.144 385 G N 0.002 108.807 108.800 0.007 0.000 2.698 385 G HA2 0.030 3.990 3.960 -0.000 0.000 0.233 385 G HA3 0.030 3.990 3.960 -0.000 0.000 0.233 385 G C -0.919 173.948 174.900 -0.056 0.000 1.352 385 G CA 0.643 45.731 45.100 -0.020 0.000 0.879 385 G HN 0.889 nan 8.290 nan 0.000 0.567 386 D N -0.049 120.305 120.400 -0.077 0.000 2.505 386 D HA 0.598 5.238 4.640 -0.000 0.000 0.250 386 D C -1.318 174.872 176.300 -0.183 0.000 1.164 386 D CA -2.069 51.851 54.000 -0.134 0.000 0.870 386 D CB 1.745 42.512 40.800 -0.054 0.000 1.160 386 D HN -0.002 nan 8.370 nan 0.000 0.549 387 P HA -0.053 nan 4.420 nan 0.000 0.221 387 P C 1.031 178.218 177.300 -0.188 0.000 1.145 387 P CA 0.652 63.470 63.100 -0.470 0.000 0.795 387 P CB 0.142 31.144 31.700 -1.164 0.000 0.775 388 W N -0.049 121.110 121.300 -0.235 0.000 2.436 388 W HA 0.009 4.669 4.660 -0.000 0.000 0.284 388 W C 2.030 178.500 176.519 -0.081 0.000 1.225 388 W CA 1.960 59.237 57.345 -0.114 0.000 1.271 388 W CB -1.817 27.616 29.460 -0.045 0.000 1.114 388 W HN 0.134 nan 8.180 nan 0.000 0.559 389 T N -4.381 110.257 114.554 0.139 0.000 2.971 389 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 389 T C -0.084 174.626 174.700 0.017 0.000 1.022 389 T CA -0.151 61.990 62.100 0.070 0.000 0.980 389 T CB -0.037 68.873 68.868 0.070 0.000 1.044 389 T HN -0.315 nan 8.240 nan 0.000 0.501 390 D N 2.928 123.320 120.400 -0.014 0.000 2.344 390 D HA 0.301 4.941 4.640 -0.000 0.000 0.253 390 D C 1.124 177.395 176.300 -0.048 0.000 1.255 390 D CA 0.070 54.047 54.000 -0.037 0.000 0.894 390 D CB 1.243 42.005 40.800 -0.062 0.000 1.067 390 D HN 0.401 nan 8.370 nan 0.000 0.492 391 S N 1.182 116.861 115.700 -0.036 0.000 2.593 391 S HA -0.011 4.459 4.470 -0.000 0.000 0.217 391 S C 0.583 175.142 174.600 -0.069 0.000 0.966 391 S CA -0.429 57.746 58.200 -0.043 0.000 0.914 391 S CB 0.178 63.365 63.200 -0.022 0.000 0.776 391 S HN 0.262 nan 8.310 nan 0.000 0.523 392 D N 2.978 123.338 120.400 -0.066 0.000 2.443 392 D HA 0.469 5.109 4.640 -0.000 0.000 0.239 392 D C 0.387 176.627 176.300 -0.099 0.000 1.136 392 D CA 0.338 54.298 54.000 -0.068 0.000 0.879 392 D CB 0.992 41.764 40.800 -0.047 0.000 1.195 392 D HN 0.452 nan 8.370 nan 0.000 0.443 393 A N 2.344 125.106 122.820 -0.096 0.000 2.531 393 A HA 0.112 4.432 4.320 -0.000 0.000 0.236 393 A C -0.085 177.444 177.584 -0.092 0.000 1.062 393 A CA -0.302 51.665 52.037 -0.118 0.000 0.760 393 A CB 0.096 19.044 19.000 -0.086 0.000 0.995 393 A HN 0.425 nan 8.150 nan 0.000 0.501 394 L N 1.784 122.935 121.223 -0.119 0.000 2.410 394 L HA 0.366 4.706 4.340 -0.000 0.000 0.273 394 L C 1.042 177.964 176.870 0.087 0.000 1.152 394 L CA 0.544 55.357 54.840 -0.044 0.000 0.855 394 L CB 0.389 42.382 42.059 -0.109 0.000 1.129 394 L HN 0.779 nan 8.230 nan 0.000 0.463 395 A N 4.254 127.109 122.820 0.058 0.000 2.450 395 A HA 0.345 4.665 4.320 -0.000 0.000 0.255 395 A C -0.276 177.349 177.584 0.068 0.000 1.096 395 A CA -0.433 51.637 52.037 0.054 0.000 0.778 395 A CB -0.057 18.949 19.000 0.009 0.000 1.031 395 A HN 0.621 nan 8.150 nan 0.000 0.494 396 L N 3.540 124.769 121.223 0.009 0.000 2.361 396 L HA 0.295 4.635 4.340 -0.000 0.000 0.278 396 L C 1.248 178.004 176.870 -0.191 0.000 1.113 396 L CA 0.941 55.617 54.840 -0.273 0.000 0.849 396 L CB 0.888 42.802 42.059 -0.241 0.000 1.155 396 L HN 0.727 nan 8.230 nan 0.000 0.452 397 S N 3.050 118.614 115.700 -0.226 0.000 2.412 397 S HA 0.522 4.992 4.470 -0.000 0.000 0.223 397 S C 0.581 175.163 174.600 -0.029 0.000 1.048 397 S CA 0.485 58.663 58.200 -0.037 0.000 0.954 397 S CB -0.101 63.167 63.200 0.114 0.000 0.840 397 S HN 1.039 nan 8.310 nan 0.000 0.503 398 G N -0.365 108.364 108.800 -0.118 0.000 2.349 398 G HA2 0.415 4.375 3.960 -0.000 0.000 0.294 398 G HA3 0.415 4.375 3.960 -0.000 0.000 0.294 398 G C -1.913 172.909 174.900 -0.129 0.000 1.380 398 G CA -0.478 44.579 45.100 -0.072 0.000 0.811 398 G HN 0.211 nan 8.290 nan 0.000 0.519 399 V N 1.783 121.655 119.914 -0.068 0.000 2.318 399 V HA 0.285 4.405 4.120 -0.000 0.000 0.271 399 V C 1.180 177.228 176.094 -0.077 0.000 1.030 399 V CA -0.172 62.085 62.300 -0.073 0.000 0.844 399 V CB 0.920 32.730 31.823 -0.022 0.000 1.015 399 V HN 0.774 nan 8.190 nan 0.000 0.460 400 M N 3.685 123.159 119.600 -0.209 0.000 2.334 400 M HA 0.123 4.603 4.480 -0.000 0.000 0.266 400 M C 0.070 176.304 176.300 -0.109 0.000 1.082 400 M CA 1.247 56.297 55.300 -0.417 0.000 1.141 400 M CB 0.396 32.461 32.600 -0.891 0.000 1.380 400 M HN 0.449 nan 8.290 nan 0.000 0.440 401 V N 0.364 120.244 119.914 -0.058 0.000 2.686 401 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 401 V C -0.083 176.018 176.094 0.012 0.000 1.065 401 V CA -1.127 61.179 62.300 0.010 0.000 0.894 401 V CB 1.876 33.723 31.823 0.040 0.000 1.004 401 V HN 0.340 nan 8.190 nan 0.000 0.424 402 S N 3.932 119.641 115.700 0.015 0.000 2.624 402 S HA 0.327 4.797 4.470 -0.000 0.000 0.263 402 S C 1.013 175.629 174.600 0.027 0.000 1.287 402 S CA -0.310 57.900 58.200 0.016 0.000 0.990 402 S CB 0.764 63.969 63.200 0.008 0.000 0.950 402 S HN 0.713 nan 8.310 nan 0.000 0.561 403 M N 0.503 120.119 119.600 0.027 0.000 2.346 403 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 403 M C 1.343 177.664 176.300 0.034 0.000 1.064 403 M CA 1.618 56.937 55.300 0.032 0.000 1.083 403 M CB -0.860 31.756 32.600 0.027 0.000 1.399 403 M HN 0.812 nan 8.290 nan 0.000 0.435 404 E N 0.064 120.282 120.200 0.029 0.000 2.435 404 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 404 E C -0.013 176.609 176.600 0.036 0.000 1.029 404 E CA 0.422 56.839 56.400 0.028 0.000 0.865 404 E CB 0.157 29.867 29.700 0.017 0.000 0.833 404 E HN 0.426 nan 8.360 nan 0.000 0.510 405 E N 0.566 120.791 120.200 0.043 0.000 2.221 405 E HA 0.278 4.628 4.350 -0.000 0.000 0.268 405 E C -2.469 174.184 176.600 0.087 0.000 0.933 405 E CA -2.511 53.920 56.400 0.052 0.000 0.809 405 E CB 1.416 31.139 29.700 0.038 0.000 1.190 405 E HN -0.077 nan 8.360 nan 0.000 0.406 406 P HA 0.180 nan 4.420 nan 0.000 0.275 406 P C -0.411 177.039 177.300 0.250 0.000 1.227 406 P CA -0.324 62.903 63.100 0.212 0.000 0.781 406 P CB 0.708 32.485 31.700 0.129 0.000 0.906 407 G N 2.203 111.219 108.800 0.359 0.000 2.954 407 G HA2 0.380 4.340 3.960 -0.000 0.000 0.290 407 G HA3 0.380 4.340 3.960 -0.000 0.000 0.290 407 G C -0.887 174.235 174.900 0.371 0.000 1.574 407 G CA -0.388 44.888 45.100 0.293 0.000 1.088 407 G HN 0.334 nan 8.290 nan 0.000 0.557 408 W N 0.916 122.283 121.300 0.111 0.000 2.116 408 W HA 0.511 5.171 4.660 -0.000 0.000 0.645 408 W C 0.384 177.100 176.519 0.328 0.000 1.601 408 W CA -0.511 56.936 57.345 0.169 0.000 0.950 408 W CB -0.487 29.015 29.460 0.070 0.000 3.459 408 W HN 0.303 nan 8.180 nan 0.000 0.736 409 Y N 1.572 122.135 120.300 0.439 0.000 2.550 409 Y HA 0.266 4.816 4.550 -0.000 0.000 0.343 409 Y C 0.742 176.856 175.900 0.357 0.000 1.245 409 Y CA -0.842 57.470 58.100 0.354 0.000 1.462 409 Y CB -0.201 38.487 38.460 0.380 0.000 1.340 409 Y HN 0.016 nan 8.280 nan 0.000 0.604 410 S N 2.781 118.744 115.700 0.439 0.000 2.569 410 S HA 0.893 5.363 4.470 -0.000 0.000 0.280 410 S C -1.237 173.589 174.600 0.377 0.000 1.111 410 S CA -0.882 57.508 58.200 0.316 0.000 0.887 410 S CB 2.033 65.328 63.200 0.159 0.000 1.095 410 S HN 0.457 nan 8.310 nan 0.000 0.476 411 F N -1.267 118.864 119.950 0.302 0.000 2.643 411 F HA 0.955 5.482 4.527 -0.000 0.000 0.314 411 F C -0.027 175.984 175.800 0.353 0.000 1.096 411 F CA -1.007 57.176 58.000 0.304 0.000 0.953 411 F CB 0.912 40.114 39.000 0.336 0.000 1.345 411 F HN 0.881 nan 8.300 nan 0.000 0.468 412 G N 0.492 109.576 108.800 0.473 0.000 2.417 412 G HA2 0.716 4.676 3.960 -0.000 0.000 0.334 412 G HA3 0.716 4.676 3.960 -0.000 0.000 0.334 412 G C -1.766 173.493 174.900 0.598 0.000 1.150 412 G CA -0.890 44.423 45.100 0.356 0.000 0.923 412 G HN 1.032 nan 8.290 nan 0.000 0.485 413 F N -1.508 118.597 119.950 0.258 0.000 2.741 413 F HA 0.752 5.279 4.527 -0.000 0.000 0.313 413 F C -0.922 174.977 175.800 0.165 0.000 1.153 413 F CA -1.362 56.793 58.000 0.258 0.000 0.931 413 F CB 1.578 40.796 39.000 0.363 0.000 1.335 413 F HN 0.402 nan 8.300 nan 0.000 0.460 414 E N 2.173 122.501 120.200 0.214 0.000 2.218 414 E HA 0.496 4.846 4.350 -0.000 0.000 0.263 414 E C -1.176 175.526 176.600 0.170 0.000 0.879 414 E CA -0.732 55.703 56.400 0.059 0.000 0.762 414 E CB 2.923 32.677 29.700 0.090 0.000 1.166 414 E HN 0.517 nan 8.360 nan 0.000 0.415 415 I N 2.626 123.240 120.570 0.074 0.000 2.395 415 I HA 0.160 4.330 4.170 -0.000 0.000 0.289 415 I C 0.083 176.233 176.117 0.055 0.000 1.023 415 I CA -0.724 60.648 61.300 0.120 0.000 1.350 415 I CB 0.496 38.554 38.000 0.098 0.000 1.409 415 I HN 0.121 nan 8.210 nan 0.000 0.507 416 K N 4.679 125.116 120.400 0.063 0.000 2.284 416 K HA 0.206 4.525 4.320 -0.000 0.000 0.287 416 K C -0.397 176.213 176.600 0.017 0.000 1.081 416 K CA -0.260 56.047 56.287 0.033 0.000 0.910 416 K CB 0.212 32.728 32.500 0.027 0.000 1.088 416 K HN 0.385 nan 8.250 nan 0.000 0.478 417 D N 1.516 121.919 120.400 0.004 0.000 2.478 417 D HA 0.166 4.806 4.640 -0.000 0.000 0.269 417 D C 0.801 177.101 176.300 -0.001 0.000 1.232 417 D CA -0.269 53.729 54.000 -0.003 0.000 1.059 417 D CB 0.930 41.722 40.800 -0.014 0.000 1.104 417 D HN 0.250 nan 8.370 nan 0.000 0.566 418 K N -0.283 120.115 120.400 -0.003 0.000 2.063 418 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 418 K C 1.062 177.661 176.600 -0.001 0.000 1.048 418 K CA 1.371 57.656 56.287 -0.002 0.000 0.928 418 K CB 0.116 32.614 32.500 -0.004 0.000 0.713 418 K HN 0.248 nan 8.250 nan 0.000 0.442 419 K N -0.928 119.471 120.400 -0.002 0.000 2.517 419 K HA 0.120 4.439 4.320 -0.000 0.000 0.210 419 K C -0.503 176.097 176.600 -0.001 0.000 1.166 419 K CA -0.152 56.134 56.287 -0.001 0.000 1.030 419 K CB 1.140 33.638 32.500 -0.004 0.000 0.974 419 K HN 0.266 nan 8.250 nan 0.000 0.585 420 c N -1.437 117.162 118.600 -0.001 0.000 3.311 420 c HA 0.546 5.116 4.570 -0.000 0.000 0.325 420 c C -1.710 172.379 174.090 -0.003 0.000 1.352 420 c CA -1.298 55.030 56.329 -0.001 0.000 1.308 420 c CB 1.401 43.909 42.510 -0.004 0.000 1.619 420 c HN -0.003 nan 8.230 nan 0.000 0.469 421 D N 0.750 121.149 120.400 -0.001 0.000 2.163 421 D HA 0.608 5.248 4.640 -0.000 0.000 0.248 421 D C -0.637 175.641 176.300 -0.037 0.000 1.035 421 D CA -0.160 53.838 54.000 -0.003 0.000 0.872 421 D CB 2.077 42.889 40.800 0.019 0.000 1.183 421 D HN 0.550 nan 8.370 nan 0.000 0.445 422 V N 4.155 124.029 119.914 -0.067 0.000 2.334 422 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 422 V C -2.217 173.739 176.094 -0.230 0.000 1.016 422 V CA -1.612 60.596 62.300 -0.154 0.000 0.832 422 V CB 1.549 33.276 31.823 -0.159 0.000 0.999 422 V HN 0.382 nan 8.190 nan 0.000 0.439 423 P HA 0.341 nan 4.420 nan 0.000 0.281 423 P C -0.752 176.211 177.300 -0.562 0.000 1.252 423 P CA -0.127 62.793 63.100 -0.300 0.000 0.778 423 P CB 0.922 32.532 31.700 -0.150 0.000 0.895 424 c N 3.992 122.242 118.600 -0.583 0.000 2.971 424 c HA 0.628 5.198 4.570 -0.000 0.000 0.310 424 c C -0.239 173.691 174.090 -0.266 0.000 1.285 424 c CA -0.584 55.365 56.329 -0.632 0.000 1.593 424 c CB 1.718 43.518 42.510 -1.184 0.000 2.076 424 c HN 0.439 nan 8.230 nan 0.000 0.472 425 I N 2.072 122.683 120.570 0.068 0.000 2.447 425 I HA 0.488 4.658 4.170 -0.000 0.000 0.287 425 I C 0.508 176.645 176.117 0.034 0.000 1.023 425 I CA 0.339 61.687 61.300 0.081 0.000 1.083 425 I CB 1.041 39.107 38.000 0.110 0.000 1.245 425 I HN 0.921 nan 8.210 nan 0.000 0.434 426 G N 6.738 115.308 108.800 -0.383 0.000 2.410 426 G HA2 0.785 4.745 3.960 -0.000 0.000 0.330 426 G HA3 0.785 4.745 3.960 -0.000 0.000 0.330 426 G C -0.768 173.721 174.900 -0.686 0.000 1.142 426 G CA -0.401 44.282 45.100 -0.695 0.000 0.902 426 G HN 0.468 nan 8.290 nan 0.000 0.491 427 I N 0.464 120.974 120.570 -0.100 0.000 2.499 427 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 427 I C -0.057 176.225 176.117 0.274 0.000 1.048 427 I CA -0.658 60.709 61.300 0.112 0.000 1.062 427 I CB 2.443 40.512 38.000 0.115 0.000 1.238 427 I HN 0.518 nan 8.210 nan 0.000 0.426 428 E N 7.712 128.142 120.200 0.383 0.000 2.223 428 E HA 0.355 4.704 4.350 -0.000 0.000 0.282 428 E C -1.129 175.586 176.600 0.191 0.000 1.046 428 E CA -0.432 56.161 56.400 0.322 0.000 0.857 428 E CB 0.844 30.768 29.700 0.374 0.000 1.055 428 E HN 0.549 nan 8.360 nan 0.000 0.409 429 M N 4.997 124.618 119.600 0.034 0.000 2.060 429 M HA 0.243 4.723 4.480 -0.000 0.000 0.342 429 M C -0.926 175.104 176.300 -0.451 0.000 1.031 429 M CA -0.784 54.456 55.300 -0.100 0.000 0.981 429 M CB 1.616 34.188 32.600 -0.048 0.000 1.376 429 M HN 0.205 nan 8.290 nan 0.000 0.397 430 V N 3.491 122.980 119.914 -0.709 0.000 2.498 430 V HA 0.147 4.267 4.120 -0.000 0.000 0.279 430 V C 0.354 175.907 176.094 -0.902 0.000 1.048 430 V CA -0.523 61.130 62.300 -1.079 0.000 0.967 430 V CB 0.641 31.247 31.823 -2.029 0.000 0.988 430 V HN 0.610 nan 8.190 nan 0.000 0.473 431 H N 3.410 122.165 119.070 -0.524 0.000 2.846 431 H HA 0.270 4.826 4.556 -0.000 0.000 0.278 431 H C -0.650 174.318 175.328 -0.600 0.000 1.117 431 H CA -0.417 55.349 56.048 -0.470 0.000 1.406 431 H CB 0.710 30.221 29.762 -0.419 0.000 1.445 431 H HN 0.568 nan 8.280 nan 0.000 0.469 432 D N 2.278 122.496 120.400 -0.303 0.000 2.440 432 D HA 0.255 4.895 4.640 -0.000 0.000 0.239 432 D C 0.668 176.899 176.300 -0.116 0.000 1.084 432 D CA -0.676 53.255 54.000 -0.115 0.000 0.843 432 D CB 1.009 41.866 40.800 0.095 0.000 1.097 432 D HN 0.728 nan 8.370 nan 0.000 0.531 433 G N 2.049 110.739 108.800 -0.184 0.000 4.100 433 G HA2 0.552 4.512 3.960 -0.000 0.000 0.294 433 G HA3 0.552 4.512 3.960 -0.000 0.000 0.294 433 G C 0.592 175.413 174.900 -0.132 0.000 1.040 433 G CA 0.061 45.049 45.100 -0.187 0.000 0.829 433 G HN 0.867 nan 8.290 nan 0.000 0.505 434 G N 0.923 109.674 108.800 -0.082 0.000 2.710 434 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.668 434 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.668 434 G C 0.700 175.535 174.900 -0.108 0.000 1.320 434 G CA 0.011 45.065 45.100 -0.077 0.000 0.860 434 G HN 0.822 nan 8.290 nan 0.000 0.538 435 K N -0.576 119.770 120.400 -0.089 0.000 2.432 435 K HA 0.185 4.505 4.320 -0.000 0.000 0.196 435 K C 1.203 177.783 176.600 -0.033 0.000 1.038 435 K CA 1.529 57.769 56.287 -0.078 0.000 0.986 435 K CB 0.253 32.715 32.500 -0.064 0.000 0.782 435 K HN 0.341 nan 8.250 nan 0.000 0.485 436 E N 1.132 121.313 120.200 -0.031 0.000 2.502 436 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 436 E C 0.216 176.830 176.600 0.023 0.000 1.062 436 E CA 0.395 56.797 56.400 0.002 0.000 0.867 436 E CB 0.569 30.267 29.700 -0.004 0.000 0.888 436 E HN 0.343 nan 8.360 nan 0.000 0.510 437 T N -0.794 113.741 114.554 -0.032 0.000 2.654 437 T HA 0.346 4.696 4.350 -0.000 0.000 0.289 437 T C -1.169 173.440 174.700 -0.152 0.000 1.062 437 T CA -0.981 61.071 62.100 -0.079 0.000 1.041 437 T CB 0.637 69.343 68.868 -0.269 0.000 1.417 437 T HN 0.188 nan 8.240 nan 0.000 0.510 438 W N 1.788 122.804 121.300 -0.473 0.000 2.150 438 W HA 0.429 5.089 4.660 -0.000 0.000 0.341 438 W C -0.493 175.912 176.519 -0.190 0.000 1.276 438 W CA -0.454 56.606 57.345 -0.476 0.000 1.238 438 W CB -0.324 28.571 29.460 -0.943 0.000 1.128 438 W HN 0.638 nan 8.180 nan 0.000 0.581 439 H N 1.685 120.763 119.070 0.012 0.000 2.906 439 H HA 0.343 4.899 4.556 -0.000 0.000 0.324 439 H C -1.205 174.174 175.328 0.085 0.000 0.973 439 H CA 0.007 56.001 56.048 -0.090 0.000 1.321 439 H CB 1.902 31.595 29.762 -0.115 0.000 1.535 439 H HN 0.530 nan 8.280 nan 0.000 0.518 440 S N 2.942 118.584 115.700 -0.096 0.000 2.819 440 S HA 0.876 5.346 4.470 -0.000 0.000 0.299 440 S C -1.634 172.891 174.600 -0.125 0.000 1.192 440 S CA 0.001 58.197 58.200 -0.007 0.000 0.847 440 S CB 1.748 65.001 63.200 0.089 0.000 1.224 440 S HN 0.807 nan 8.310 nan 0.000 0.537 441 A N 0.230 123.081 122.820 0.051 0.000 2.549 441 A HA 0.889 5.209 4.320 -0.000 0.000 0.297 441 A C -0.508 177.150 177.584 0.123 0.000 1.061 441 A CA -0.130 51.837 52.037 -0.117 0.000 0.690 441 A CB 1.105 20.021 19.000 -0.141 0.000 1.287 441 A HN 1.360 nan 8.150 nan 0.000 0.402 442 A N 0.344 123.159 122.820 -0.008 0.000 2.252 442 A HA 0.850 5.170 4.320 -0.000 0.000 0.305 442 A C 0.036 177.709 177.584 0.148 0.000 1.097 442 A CA -0.332 51.793 52.037 0.146 0.000 0.849 442 A CB 0.580 19.665 19.000 0.141 0.000 1.142 442 A HN 0.986 nan 8.150 nan 0.000 0.499 443 T N 1.203 115.872 114.554 0.193 0.000 2.864 443 T HA 0.593 4.943 4.350 -0.000 0.000 0.299 443 T C -0.292 174.498 174.700 0.150 0.000 1.011 443 T CA 0.089 62.318 62.100 0.214 0.000 0.975 443 T CB 1.163 70.168 68.868 0.228 0.000 0.962 443 T HN 1.054 nan 8.240 nan 0.000 0.448 444 A N 3.841 126.765 122.820 0.174 0.000 2.290 444 A HA 0.791 5.111 4.320 -0.000 0.000 0.310 444 A C -0.370 177.345 177.584 0.218 0.000 1.202 444 A CA -0.559 51.589 52.037 0.185 0.000 0.837 444 A CB 0.006 19.153 19.000 0.246 0.000 1.139 444 A HN 0.781 nan 8.150 nan 0.000 0.509 445 I N 1.846 122.521 120.570 0.175 0.000 2.404 445 I HA 0.411 4.581 4.170 -0.000 0.000 0.293 445 I C -0.944 175.256 176.117 0.138 0.000 0.992 445 I CA -0.021 61.410 61.300 0.217 0.000 1.149 445 I CB 1.317 39.442 38.000 0.209 0.000 1.315 445 I HN 0.605 nan 8.210 nan 0.000 0.446 446 Y N 4.204 124.559 120.300 0.092 0.000 2.406 446 Y HA 0.600 5.150 4.550 -0.000 0.000 0.340 446 Y C -0.444 175.423 175.900 -0.055 0.000 0.975 446 Y CA -0.526 57.624 58.100 0.084 0.000 1.056 446 Y CB 1.983 40.562 38.460 0.199 0.000 1.210 446 Y HN 0.498 nan 8.280 nan 0.000 0.448 447 c N 3.292 121.767 118.600 -0.209 0.000 2.707 447 c HA 0.467 5.037 4.570 -0.000 0.000 0.313 447 c C -0.339 173.123 174.090 -1.046 0.000 1.209 447 c CA -1.171 54.743 56.329 -0.691 0.000 1.635 447 c CB 1.613 43.867 42.510 -0.426 0.000 2.206 447 c HN 0.773 nan 8.230 nan 0.000 0.485 448 L N 4.079 124.358 121.223 -1.574 0.000 2.534 448 L HA 0.400 4.740 4.340 -0.000 0.000 0.271 448 L C -0.038 176.546 176.870 -0.476 0.000 1.178 448 L CA 1.211 55.422 54.840 -1.047 0.000 0.907 448 L CB -0.102 41.446 42.059 -0.852 0.000 1.164 448 L HN 0.800 nan 8.230 nan 0.000 0.482 449 M N 4.875 124.307 119.600 -0.280 0.000 2.265 449 M HA 0.672 5.152 4.480 -0.000 0.000 0.251 449 M C 0.047 176.304 176.300 -0.072 0.000 1.005 449 M CA -0.100 55.108 55.300 -0.155 0.000 0.998 449 M CB 1.190 33.701 32.600 -0.148 0.000 2.070 449 M HN 0.791 nan 8.290 nan 0.000 0.476 450 G N 2.856 111.629 108.800 -0.044 0.000 2.645 450 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.239 450 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.239 450 G C -0.548 174.365 174.900 0.022 0.000 1.331 450 G CA -0.071 45.023 45.100 -0.010 0.000 0.890 450 G HN 1.706 nan 8.290 nan 0.000 0.572 451 S N -0.988 114.732 115.700 0.032 0.000 2.715 451 S HA 1.044 5.514 4.470 -0.000 0.000 0.307 451 S C 0.852 175.488 174.600 0.060 0.000 1.119 451 S CA 0.636 58.869 58.200 0.056 0.000 0.937 451 S CB 1.701 64.926 63.200 0.042 0.000 1.150 451 S HN 3.028 nan 8.310 nan 0.000 0.521 452 G N 0.289 109.134 108.800 0.075 0.000 2.464 452 G HA2 0.122 4.082 3.960 -0.000 0.000 0.216 452 G HA3 0.122 4.082 3.960 -0.000 0.000 0.216 452 G C -1.524 173.436 174.900 0.101 0.000 1.186 452 G CA -0.115 45.027 45.100 0.071 0.000 1.010 452 G HN 1.262 nan 8.290 nan 0.000 0.585 453 Q N -0.309 119.546 119.800 0.092 0.000 2.413 453 Q HA 0.690 5.030 4.340 -0.000 0.000 0.276 453 Q C -0.213 175.861 176.000 0.122 0.000 1.099 453 Q CA -1.066 54.804 55.803 0.113 0.000 0.814 453 Q CB 2.507 31.298 28.738 0.089 0.000 1.379 453 Q HN 1.291 nan 8.270 nan 0.000 0.436 454 L N 2.143 123.457 121.223 0.153 0.000 2.559 454 L HA -0.121 4.219 4.340 -0.000 0.000 0.274 454 L C -0.014 176.957 176.870 0.168 0.000 1.205 454 L CA -0.060 54.890 54.840 0.183 0.000 0.907 454 L CB 0.302 42.476 42.059 0.193 0.000 1.153 454 L HN 0.615 nan 8.230 nan 0.000 0.490 455 L N 5.340 126.676 121.223 0.188 0.000 2.388 455 L HA 0.234 4.574 4.340 -0.000 0.000 0.209 455 L C -0.099 176.956 176.870 0.309 0.000 1.061 455 L CA 0.843 55.780 54.840 0.162 0.000 0.834 455 L CB -0.454 41.636 42.059 0.052 0.000 1.029 455 L HN 0.611 nan 8.230 nan 0.000 0.473 456 W N 0.855 122.232 121.300 0.129 0.000 3.032 456 W HA 0.332 4.992 4.660 -0.000 0.000 0.335 456 W C -0.487 176.156 176.519 0.206 0.000 1.154 456 W CA -1.678 55.740 57.345 0.122 0.000 1.204 456 W CB 1.155 30.659 29.460 0.074 0.000 1.416 456 W HN 0.049 nan 8.180 nan 0.000 0.521 457 D N 0.666 121.162 120.400 0.160 0.000 2.432 457 D HA 0.507 5.147 4.640 -0.000 0.000 0.258 457 D C -0.759 175.554 176.300 0.022 0.000 1.146 457 D CA -0.232 53.835 54.000 0.112 0.000 1.015 457 D CB 1.474 42.281 40.800 0.012 0.000 1.107 457 D HN 0.092 nan 8.370 nan 0.000 0.529 458 T N -0.169 114.443 114.554 0.098 0.000 2.829 458 T HA 0.488 4.838 4.350 -0.000 0.000 0.280 458 T C -0.107 174.593 174.700 -0.000 0.000 0.999 458 T CA -0.772 61.359 62.100 0.052 0.000 0.983 458 T CB 1.377 70.359 68.868 0.191 0.000 0.968 458 T HN 0.480 nan 8.240 nan 0.000 0.446 459 V N 0.796 120.683 119.914 -0.046 0.000 2.715 459 V HA 0.659 4.779 4.120 -0.000 0.000 0.310 459 V C 1.263 177.363 176.094 0.010 0.000 1.054 459 V CA -0.428 61.856 62.300 -0.025 0.000 0.928 459 V CB 1.309 33.094 31.823 -0.064 0.000 1.007 459 V HN 0.951 nan 8.190 nan 0.000 0.437 460 T N -0.364 114.219 114.554 0.048 0.000 2.904 460 T HA 0.160 4.510 4.350 -0.000 0.000 0.267 460 T C 1.723 176.460 174.700 0.061 0.000 1.059 460 T CA 1.636 63.797 62.100 0.101 0.000 1.137 460 T CB -0.586 68.423 68.868 0.235 0.000 0.879 460 T HN 2.581 nan 8.240 nan 0.000 0.467 461 G N 0.514 109.331 108.800 0.028 0.000 2.162 461 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 461 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 461 G C 0.099 174.992 174.900 -0.012 0.000 0.976 461 G CA 0.156 45.250 45.100 -0.009 0.000 0.655 461 G HN 0.811 nan 8.290 nan 0.000 0.533 462 V N 1.131 121.062 119.914 0.027 0.000 2.439 462 V HA 0.521 4.641 4.120 -0.000 0.000 0.282 462 V C -0.076 176.025 176.094 0.011 0.000 1.039 462 V CA -0.622 61.671 62.300 -0.011 0.000 0.913 462 V CB 1.851 33.617 31.823 -0.095 0.000 0.983 462 V HN 0.310 nan 8.190 nan 0.000 0.460 463 D N 4.425 124.829 120.400 0.006 0.000 2.392 463 D HA 0.337 4.977 4.640 -0.000 0.000 0.228 463 D C 0.717 177.047 176.300 0.050 0.000 1.074 463 D CA -0.370 53.640 54.000 0.017 0.000 0.838 463 D CB 1.631 42.438 40.800 0.012 0.000 1.067 463 D HN 0.469 nan 8.370 nan 0.000 0.511 464 M N 2.366 121.978 119.600 0.019 0.000 2.557 464 M HA -0.041 4.439 4.480 -0.000 0.000 0.259 464 M C 1.762 178.105 176.300 0.073 0.000 1.086 464 M CA 0.436 55.751 55.300 0.025 0.000 1.096 464 M CB 0.193 32.636 32.600 -0.261 0.000 1.424 464 M HN 0.464 nan 8.290 nan 0.000 0.488 465 A N 0.498 123.344 122.820 0.043 0.000 2.119 465 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 465 A C 1.233 178.870 177.584 0.088 0.000 1.153 465 A CA 0.570 52.639 52.037 0.053 0.000 0.692 465 A CB -0.321 18.695 19.000 0.027 0.000 0.799 465 A HN 0.355 nan 8.150 nan 0.000 0.458 466 L N 0.000 121.281 121.223 0.097 0.000 2.949 466 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 466 L CA 0.000 54.887 54.840 0.078 0.000 0.813 466 L CB 0.000 42.086 42.059 0.045 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502